N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide

C82H162N6O6 — CID 161398995

IUPACN-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide
SMILESC=CCC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCC(CC1CCCC1)C(=O)NC(C)(C)C.CCCC(C(=O)NC(C)(C)C)C(C)(C)C.CCCC(C(=O)NC(C)(C)C)C(C)C.CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCC(CC1CC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO.C14H27NO.C14H29NO.C14H27NO.C13H27NO.C12H25NO/c1-5-8-13(11-12-9-6-7-10-12)14(17)16-15(2,3)4;1-6-7-11(9-12-8-10(12)2)13(16)15-14(3,4)5;2*1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;1-8-9-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-10(9(2)3)11(14)13-12(4,5)6/h5,12-13H,1,6-11H2,2-4H3,(H,16,17);10-12H,6-9H2,1-5H3,(H,15,16);11H,8-10H2,1-7H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);10H,8-9H2,1-7H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyVTZGLUZKJULKCK-UHFFFAOYSA-N
MW1328.23 g/mol
LogP20.66
Rot. Bonds25

About N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide

N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide (PubChem CID 161398995) has the molecular formula C82H162N6O6 and a molecular weight of 1328.23 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide
PubChem CID161398995
Molecular FormulaC82H162N6O6
Molecular Weight1328.23 g/mol
Exact Mass1327.26
IUPAC NameN-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide
SMILESC=CCC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCC(CC1CCCC1)C(=O)NC(C)(C)C.CCCC(C(=O)NC(C)(C)C)C(C)(C)C.CCCC(C(=O)NC(C)(C)C)C(C)C.CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCC(CC1CC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO.C14H27NO.C14H29NO.C14H27NO.C13H27NO.C12H25NO/c1-5-8-13(11-12-9-6-7-10-12)14(17)16-15(2,3)4;1-6-7-11(9-12-8-10(12)2)13(16)15-14(3,4)5;2*1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;1-8-9-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-10(9(2)3)11(14)13-12(4,5)6/h5,12-13H,1,6-11H2,2-4H3,(H,16,17);10-12H,6-9H2,1-5H3,(H,15,16);11H,8-10H2,1-7H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);10H,8-9H2,1-7H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyVTZGLUZKJULKCK-UHFFFAOYSA-N
XLogP20.66
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001328.23
LogP ≤ 520.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide?
The IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide (CID 161398995) is N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide?
The canonical SMILES for N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide is C=CCC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCC(CC1CCCC1)C(=O)NC(C)(C)C.CCCC(C(=O)NC(C)(C)C)C(C)(C)C.CCCC(C(=O)NC(C)(C)C)C(C)C.CCCC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCC(CC1CC1C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide?
The InChIKey is VTZGLUZKJULKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO.C14H27NO.C14H29NO.C14H27NO.C13H27NO.C12H25NO/c1-5-8-13(11-12-9-6-7-10-12)14(17)16-15(2,3)4;1-6-7-11(9-12-8-10(12)2)13(16)15-14(3,4)5;2*1-8-9-11(10-13(2,3)4)12(16)15-14(5,6)7;1-8-9-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-10(9(2)3)11(14)13-12(4,5)6/h5,12-13H,1,6-11H2,2-4H3,(H,16,17);10-12H,6-9H2,1-5H3,(H,15,16);11H,8-10H2,1-7H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);10H,8-9H2,1-7H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14).
What are the key properties of N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide?
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide has a molecular weight of 1328.23 g/mol, XLogP of 20.66, 25 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide is sourced from PubChem (CID 161398995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).