4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide

C18H24N2O — CID 62406547

IUPAC4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
SMILESCC(NC(=O)c1ccc(C#CCN)cc1)C1CCCCC1
InChIInChI=1S/C18H24N2O/c1-14(16-7-3-2-4-8-16)20-18(21)17-11-9-15(10-12-17)6-5-13-19/h9-12,14,16H,2-4,7-8,13,19H2,1H3,(H,20,21)
InChIKeyBIVCTCQBEXKEEY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.70
Rot. Bonds3

About 4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide

4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide (PubChem CID 62406547) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
PubChem CID62406547
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
SMILESCC(NC(=O)c1ccc(C#CCN)cc1)C1CCCCC1
InChIInChI=1S/C18H24N2O/c1-14(16-7-3-2-4-8-16)20-18(21)17-11-9-15(10-12-17)6-5-13-19/h9-12,14,16H,2-4,7-8,13,19H2,1H3,(H,20,21)
InChIKeyBIVCTCQBEXKEEY-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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

4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996773
3-(3-aminoprop-1-ynyl)-N-(1-cyclopentylethyl)-4-methylbenzamide
CID 81460592
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide
CID 56587993
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
CID 102851926
4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 60821559
4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
CID 60820586
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
CID 54922312

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide (CID 62406547) is 4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide is CC(NC(=O)c1ccc(C#CCN)cc1)C1CCCCC1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide?
The InChIKey is BIVCTCQBEXKEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(16-7-3-2-4-8-16)20-18(21)17-11-9-15(10-12-17)6-5-13-19/h9-12,14,16H,2-4,7-8,13,19H2,1H3,(H,20,21).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide?
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide has a molecular weight of 284.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide is sourced from PubChem (CID 62406547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).