N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide

C23H30N2O2 — CID 34954942

IUPACN-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-18-7-9-19(10-8-18)22(25-15-5-3-4-6-16-25)17-24-23(26)20-11-13-21(27-2)14-12-20/h7-14,22H,3-6,15-17H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyCKFNWSSBDBXWEM-QFIPXVFZSA-N
MW366.51 g/mol
LogP4.35
Rot. Bonds6

About N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide

N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide (PubChem CID 34954942) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
PubChem CID34954942
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-18-7-9-19(10-8-18)22(25-15-5-3-4-6-16-25)17-24-23(26)20-11-13-21(27-2)14-12-20/h7-14,22H,3-6,15-17H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyCKFNWSSBDBXWEM-QFIPXVFZSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 43843308
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 26622606

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide (CID 34954942) is N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is CKFNWSSBDBXWEM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-7-9-19(10-8-18)22(25-15-5-3-4-6-16-25)17-24-23(26)20-11-13-21(27-2)14-12-20/h7-14,22H,3-6,15-17H2,1-2H3,(H,24,26)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide?
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 366.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 34954942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).