(4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide

C23H31N3O2 — CID 97283744

IUPAC(4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide
SMILESCN(C)C[C@@]1(O)CCCN(C(=O)Nc2cccc(Cc3ccccc3)c2)CC1
InChIInChI=1S/C23H31N3O2/c1-25(2)18-23(28)12-7-14-26(15-13-23)22(27)24-21-11-6-10-20(17-21)16-19-8-4-3-5-9-19/h3-6,8-11,17,28H,7,12-16,18H2,1-2H3,(H,24,27)/t23-/m1/s1
InChIKeyFVENOWMHOQSUKD-HSZRJFAPSA-N
MW381.52 g/mol
LogP3.59
Rot. Bonds5

About (4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide

(4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide (PubChem CID 97283744) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide
PubChem CID97283744
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide
SMILESCN(C)C[C@@]1(O)CCCN(C(=O)Nc2cccc(Cc3ccccc3)c2)CC1
InChIInChI=1S/C23H31N3O2/c1-25(2)18-23(28)12-7-14-26(15-13-23)22(27)24-21-11-6-10-20(17-21)16-19-8-4-3-5-9-19/h3-6,8-11,17,28H,7,12-16,18H2,1-2H3,(H,24,27)/t23-/m1/s1
InChIKeyFVENOWMHOQSUKD-HSZRJFAPSA-N
XLogP3.59
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(dimethylamino)methyl]-4-hydroxy-N-(3-methoxyphenyl)azepane-1-carboxamide
CID 95723564
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide
CID 72916114
(3S)-N-(3-acetamido-4-fluorophenyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
CID 97436375
[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95874293
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936
3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 72931767
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(2-phenoxyphenyl)methanone
CID 70737813
N-[(3-chlorophenyl)methyl]-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
CID 119061187
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
CID 115339440

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide?
The IUPAC name of (4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide (CID 97283744) is (4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide.
What is the SMILES notation for (4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide?
The canonical SMILES for (4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide is CN(C)C[C@@]1(O)CCCN(C(=O)Nc2cccc(Cc3ccccc3)c2)CC1.
What is the InChIKey of (4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide?
The InChIKey is FVENOWMHOQSUKD-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-25(2)18-23(28)12-7-14-26(15-13-23)22(27)24-21-11-6-10-20(17-21)16-19-8-4-3-5-9-19/h3-6,8-11,17,28H,7,12-16,18H2,1-2H3,(H,24,27)/t23-/m1/s1.
What are the key properties of (4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide?
(4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide is sourced from PubChem (CID 97283744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).