N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C19H28N2O3 — CID 111480659

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cccc(NC(=O)C2CC2C)c1
InChIInChI=1S/C19H28N2O3/c1-12-8-16(12)18(24)21-15-7-5-6-14(9-15)17(23)20-11-19(3,4)10-13(2)22/h5-7,9,12-13,16,22H,8,10-11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyCJJPWQCURXQWDJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.81
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 111480659) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID111480659
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cccc(NC(=O)C2CC2C)c1
InChIInChI=1S/C19H28N2O3/c1-12-8-16(12)18(24)21-15-7-5-6-14(9-15)17(23)20-11-19(3,4)10-13(2)22/h5-7,9,12-13,16,22H,8,10-11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyCJJPWQCURXQWDJ-UHFFFAOYSA-N
XLogP2.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 119199006
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide
CID 115160955
ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
CID 129418999
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 111480659) is N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC(O)CC(C)(C)CNC(=O)c1cccc(NC(=O)C2CC2C)c1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is CJJPWQCURXQWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12-8-16(12)18(24)21-15-7-5-6-14(9-15)17(23)20-11-19(3,4)10-13(2)22/h5-7,9,12-13,16,22H,8,10-11H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 111480659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).