(4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide

C18H32N2O2 — CID 146282546

IUPAC(4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCC1C(C)[C@H](CC)CC1(NC(C)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C18H32N2O2/c1-8-10-15-12(3)14(9-2)11-18(15,19-13(4)21)16(22)20-17(5,6)7/h8,12,14-15H,1,9-11H2,2-7H3,(H,19,21)(H,20,22)/t12?,14-,15?,18?/m1/s1
InChIKeyATKOPTMGPYJNAA-WDANJUPASA-N
MW308.47 g/mol
LogP3.03
Rot. Bonds5

About (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide

(4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 146282546) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide
PubChem CID146282546
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCC1C(C)[C@H](CC)CC1(NC(C)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C18H32N2O2/c1-8-10-15-12(3)14(9-2)11-18(15,19-13(4)21)16(22)20-17(5,6)7/h8,12,14-15H,1,9-11H2,2-7H3,(H,19,21)(H,20,22)/t12?,14-,15?,18?/m1/s1
InChIKeyATKOPTMGPYJNAA-WDANJUPASA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide 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 (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide (CID 146282546) is (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide is C=CCC1C(C)[C@H](CC)CC1(NC(C)=O)C(=O)NC(C)(C)C.
What is the InChIKey of (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is ATKOPTMGPYJNAA-WDANJUPASA-N. The full InChI is InChI=1S/C18H32N2O2/c1-8-10-15-12(3)14(9-2)11-18(15,19-13(4)21)16(22)20-17(5,6)7/h8,12,14-15H,1,9-11H2,2-7H3,(H,19,21)(H,20,22)/t12?,14-,15?,18?/m1/s1.
What are the key properties of (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide?
(4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-acetamido-N-tert-butyl-4-ethyl-3-methyl-2-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 146282546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).