N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide

C21H24N2O3 — CID 46761350

IUPACN-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide
SMILESCc1c(NC(=O)c2ccccc2OC(C)C)cccc1NC(=O)C1CC1
InChIInChI=1S/C21H24N2O3/c1-13(2)26-19-10-5-4-7-16(19)21(25)23-18-9-6-8-17(14(18)3)22-20(24)15-11-12-15/h4-10,13,15H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZZQFKTLZUZUMHN-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.38
Rot. Bonds6

About N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide

N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide (PubChem CID 46761350) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide
PubChem CID46761350
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide
SMILESCc1c(NC(=O)c2ccccc2OC(C)C)cccc1NC(=O)C1CC1
InChIInChI=1S/C21H24N2O3/c1-13(2)26-19-10-5-4-7-16(19)21(25)23-18-9-6-8-17(14(18)3)22-20(24)15-11-12-15/h4-10,13,15H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZZQFKTLZUZUMHN-UHFFFAOYSA-N
XLogP4.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide
CID 46761195
N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761291
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
N-propan-2-yl-2-[(2-propan-2-yloxybenzoyl)amino]benzamide
CID 17045597
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 46760897
N'-(cyclohexanecarbonyl)-2-propan-2-yloxybenzohydrazide
CID 17045681
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149770
2-butoxy-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 46761600

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide (CID 46761350) is N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide is Cc1c(NC(=O)c2ccccc2OC(C)C)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide?
The InChIKey is ZZQFKTLZUZUMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13(2)26-19-10-5-4-7-16(19)21(25)23-18-9-6-8-17(14(18)3)22-20(24)15-11-12-15/h4-10,13,15H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide?
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide has a molecular weight of 352.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 46761350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).