N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide

C19H33NO — CID 76600034

IUPACN-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide
SMILESCC=CC(=O)N(CC1CC1(C)CCC=C(C)C)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-8-10-17(21)20(18(4,5)6)14-16-13-19(16,7)12-9-11-15(2)3/h8,10-11,16H,9,12-14H2,1-7H3
InChIKeyQDTKJFVAVKUZLE-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.96
Rot. Bonds6

About N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide

N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide (PubChem CID 76600034) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide
PubChem CID76600034
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide
SMILESCC=CC(=O)N(CC1CC1(C)CCC=C(C)C)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-8-10-17(21)20(18(4,5)6)14-16-13-19(16,7)12-9-11-15(2)3/h8,10-11,16H,9,12-14H2,1-7H3
InChIKeyQDTKJFVAVKUZLE-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
CID 102318246
ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate
CID 58895292
N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide
CID 76599938
[tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol
CID 552266
2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol
CID 85361278
[1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol
CID 123931869
N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide
CID 76599958
(E)-N-methyl-N-(3-oxobutyl)but-2-enamide
CID 102410290
5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
2-[but-2-enoyl(methyl)amino]acetic acid
CID 74314380

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide?
The IUPAC name of N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide (CID 76600034) is N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide.
What is the SMILES notation for N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide?
The canonical SMILES for N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide is CC=CC(=O)N(CC1CC1(C)CCC=C(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide?
The InChIKey is QDTKJFVAVKUZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-8-10-17(21)20(18(4,5)6)14-16-13-19(16,7)12-9-11-15(2)3/h8,10-11,16H,9,12-14H2,1-7H3.
What are the key properties of N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide?
N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide has a molecular weight of 291.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide is sourced from PubChem (CID 76600034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).