N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide

C23H28N2O2 — CID 24566999

IUPACN-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCCCCc1ccc(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-3-5-17-8-10-18(11-9-17)15-22(26)24-16-19-6-4-7-21(14-19)25-23(27)20-12-13-20/h4,6-11,14,20H,2-3,5,12-13,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyKCLJBNVTXQZYNH-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.24
Rot. Bonds9

About N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 24566999) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID24566999
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCCCCc1ccc(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-3-5-17-8-10-18(11-9-17)15-22(26)24-16-19-6-4-7-21(14-19)25-23(27)20-12-13-20/h4,6-11,14,20H,2-3,5,12-13,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyKCLJBNVTXQZYNH-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46420384
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide
CID 34030665
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47371741
N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29304202
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide (CID 24566999) is N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide is CCCCc1ccc(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is KCLJBNVTXQZYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-3-5-17-8-10-18(11-9-17)15-22(26)24-16-19-6-4-7-21(14-19)25-23(27)20-12-13-20/h4,6-11,14,20H,2-3,5,12-13,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24566999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).