N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide

C21H26N2O — CID 95176105

IUPACN-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN2CCC[C@@H](c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-22-21(24)20-11-9-17(10-12-20)16-23-14-5-8-19(13-15-23)18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyUOGMQVAMDKBKGY-LJQANCHMSA-N
MW322.45 g/mol
LogP3.82
Rot. Bonds4

About N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide

N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide (PubChem CID 95176105) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide
PubChem CID95176105
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN2CCC[C@@H](c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-22-21(24)20-11-9-17(10-12-20)16-23-14-5-8-19(13-15-23)18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyUOGMQVAMDKBKGY-LJQANCHMSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
N-methyl-4-[(4-pyridin-2-ylpiperidin-1-yl)methyl]benzamide
CID 136517634
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
2-[4-(carboxymethyl)-7-[[4-(methylcarbamoyl)phenyl]methyl]-1,4,7-triazonan-1-yl]acetic acid
CID 177187623
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]benzoic acid
CID 122033759

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide?
The IUPAC name of N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide (CID 95176105) is N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide is CNC(=O)c1ccc(CN2CCC[C@@H](c3ccccc3)CC2)cc1.
What is the InChIKey of N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide?
The InChIKey is UOGMQVAMDKBKGY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O/c1-22-21(24)20-11-9-17(10-12-20)16-23-14-5-8-19(13-15-23)18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide?
N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide has a molecular weight of 322.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide is sourced from PubChem (CID 95176105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).