N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide

C24H28N2O3 — CID 31797117

IUPACN-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C24H28N2O3/c1-29-21-14-10-17(11-15-21)22-5-3-2-4-16-26(22)24(28)19-8-12-20(13-9-19)25-23(27)18-6-7-18/h8-15,18,22H,2-7,16H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyUAEDVEXBBNEAPB-QFIPXVFZSA-N
MW392.50 g/mol
LogP4.80
Rot. Bonds5

About N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide

N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide (PubChem CID 31797117) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide
PubChem CID31797117
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C24H28N2O3/c1-29-21-14-10-17(11-15-21)22-5-3-2-4-16-26(22)24(28)19-8-12-20(13-9-19)25-23(27)18-6-7-18/h8-15,18,22H,2-7,16H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyUAEDVEXBBNEAPB-QFIPXVFZSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 51152058
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 46637926
4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 26996046
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049
5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylbenzenesulfonamide
CID 78825743
2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide
CID 45281368
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-[5-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 51933466
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide (CID 31797117) is N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide is COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide?
The InChIKey is UAEDVEXBBNEAPB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-29-21-14-10-17(11-15-21)22-5-3-2-4-16-26(22)24(28)19-8-12-20(13-9-19)25-23(27)18-6-7-18/h8-15,18,22H,2-7,16H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide?
N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 31797117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).