N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide

C18H24N2O — CID 107181388

IUPACN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCc1cc(C#CCN)ccc1NC(=O)C1CCCC1(C)C
InChIInChI=1S/C18H24N2O/c1-13-12-14(6-5-11-19)8-9-16(13)20-17(21)15-7-4-10-18(15,2)3/h8-9,12,15H,4,7,10-11,19H2,1-3H3,(H,20,21)
InChIKeyQDUAIPYYBITDHP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.07
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107181388) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107181388
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCc1cc(C#CCN)ccc1NC(=O)C1CCCC1(C)C
InChIInChI=1S/C18H24N2O/c1-13-12-14(6-5-11-19)8-9-16(13)20-17(21)15-7-4-10-18(15,2)3/h8-9,12,15H,4,7,10-11,19H2,1-3H3,(H,20,21)
InChIKeyQDUAIPYYBITDHP-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-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

Related Compounds

N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181414
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002397
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002393
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181426
N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174932
methyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
CID 60813432
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 79158740
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(oxolan-2-yl)propanamide
CID 65160457
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174661
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide
CID 60813882
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107181388) is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide is Cc1cc(C#CCN)ccc1NC(=O)C1CCCC1(C)C.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is QDUAIPYYBITDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-12-14(6-5-11-19)8-9-16(13)20-17(21)15-7-4-10-18(15,2)3/h8-9,12,15H,4,7,10-11,19H2,1-3H3,(H,20,21).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107181388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).