N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide

C21H30N2O2 — CID 112811102

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide
SMILESCC(NC1CCCC(C)C1C)C(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C21H30N2O2/c1-13-8-7-10-18(14(13)2)22-16(4)21(24)23-15(3)20-12-17-9-5-6-11-19(17)25-20/h5-6,9,11-16,18,22H,7-8,10H2,1-4H3,(H,23,24)
InChIKeyQHWSOFCXEBOVCR-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.41
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide (PubChem CID 112811102) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide
PubChem CID112811102
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide
SMILESCC(NC1CCCC(C)C1C)C(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C21H30N2O2/c1-13-8-7-10-18(14(13)2)22-16(4)21(24)23-15(3)20-12-17-9-5-6-11-19(17)25-20/h5-6,9,11-16,18,22H,7-8,10H2,1-4H3,(H,23,24)
InChIKeyQHWSOFCXEBOVCR-UHFFFAOYSA-N
XLogP4.41
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
CID 112811052
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765
N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778029
[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-oxochromene-3-carboxylate
CID 11932253
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417019
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylphenyl)propanamide
CID 73147099
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide (CID 112811102) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide is CC(NC1CCCC(C)C1C)C(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide?
The InChIKey is QHWSOFCXEBOVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-13-8-7-10-18(14(13)2)22-16(4)21(24)23-15(3)20-12-17-9-5-6-11-19(17)25-20/h5-6,9,11-16,18,22H,7-8,10H2,1-4H3,(H,23,24).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide has a molecular weight of 342.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,3-dimethylcyclohexyl)amino]propanamide is sourced from PubChem (CID 112811102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).