N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide

C18H24N2O — CID 63333889

IUPACN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide
SMILESCc1ccc(NC(=O)CC2CCCCC2)cc1C#CCN
InChIInChI=1S/C18H24N2O/c1-14-9-10-17(13-16(14)8-5-11-19)20-18(21)12-15-6-3-2-4-7-15/h9-10,13,15H,2-4,6-7,11-12,19H2,1H3,(H,20,21)
InChIKeyJNJAPMMWMKLCCS-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.21
Rot. Bonds3

About N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide

N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide (PubChem CID 63333889) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide
PubChem CID63333889
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide
SMILESCc1ccc(NC(=O)CC2CCCCC2)cc1C#CCN
InChIInChI=1S/C18H24N2O/c1-14-9-10-17(13-16(14)8-5-11-19)20-18(21)12-15-6-3-2-4-7-15/h9-10,13,15H,2-4,6-7,11-12,19H2,1H3,(H,20,21)
InChIKeyJNJAPMMWMKLCCS-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699
1-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopropylurea
CID 55203285
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021982
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-4-methylbenzamide
CID 63334244
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
CID 63334197
2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 65434302
N-(3-amino-4-ethylphenyl)-2-cyclohexylacetamide
CID 43550224
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103021981
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-5-methyloxolane-3-carboxamide
CID 114826630
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide (CID 63333889) is N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide is Cc1ccc(NC(=O)CC2CCCCC2)cc1C#CCN.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide?
The InChIKey is JNJAPMMWMKLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-9-10-17(13-16(14)8-5-11-19)20-18(21)12-15-6-3-2-4-7-15/h9-10,13,15H,2-4,6-7,11-12,19H2,1H3,(H,20,21).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide?
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide has a molecular weight of 284.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide is sourced from PubChem (CID 63333889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).