2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide

C21H30N2O3 — CID 17321079

IUPAC2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CCC1CCCCC1)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C21H30N2O3/c24-20(13-12-16-7-2-1-3-8-16)23-19-11-5-4-10-18(19)21(25)22-15-17-9-6-14-26-17/h4-5,10-11,16-17H,1-3,6-9,12-15H2,(H,22,25)(H,23,24)
InChIKeySLHXZXYWUQHXHO-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.89
Rot. Bonds7

About 2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide

2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 17321079) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID17321079
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CCC1CCCCC1)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C21H30N2O3/c24-20(13-12-16-7-2-1-3-8-16)23-19-11-5-4-10-18(19)21(25)22-15-17-9-6-14-26-17/h4-5,10-11,16-17H,1-3,6-9,12-15H2,(H,22,25)(H,23,24)
InChIKeySLHXZXYWUQHXHO-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013881
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
CID 94642296
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 51278293
2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43059773

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide (CID 17321079) is 2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide is O=C(CCC1CCCCC1)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is SLHXZXYWUQHXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-20(13-12-16-7-2-1-3-8-16)23-19-11-5-4-10-18(19)21(25)22-15-17-9-6-14-26-17/h4-5,10-11,16-17H,1-3,6-9,12-15H2,(H,22,25)(H,23,24).
What are the key properties of 2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 358.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 17321079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).