3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide

C21H27N3O2 — CID 126430841

IUPAC3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide
SMILESCCC[C@@H](CNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)c1)N(C)C
InChIInChI=1S/C21H27N3O2/c1-4-6-19(24(2)3)14-23-21(26)18-8-5-7-17(13-18)15-9-11-16(12-10-15)20(22)25/h5,7-13,19H,4,6,14H2,1-3H3,(H2,22,25)(H,23,26)/t19-/m0/s1
InChIKeyIHIGWZSODKVCSX-IBGZPJMESA-N
MW353.47 g/mol
LogP2.91
Rot. Bonds8

About 3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide

3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide (PubChem CID 126430841) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide
PubChem CID126430841
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide
SMILESCCC[C@@H](CNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)c1)N(C)C
InChIInChI=1S/C21H27N3O2/c1-4-6-19(24(2)3)14-23-21(26)18-8-5-7-17(13-18)15-9-11-16(12-10-15)20(22)25/h5,7-13,19H,4,6,14H2,1-3H3,(H2,22,25)(H,23,26)/t19-/m0/s1
InChIKeyIHIGWZSODKVCSX-IBGZPJMESA-N
XLogP2.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide
CID 69166105
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide
CID 143173851
4-(3-ethylphenyl)benzamide
CID 54454087
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
4-[(3-carbamoylbenzoyl)amino]-2-methylbutanoic acid
CID 80540452
4-(3-carbamoylphenyl)benzoate
CID 86307207

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide?
The IUPAC name of 3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide (CID 126430841) is 3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide.
What is the SMILES notation for 3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide?
The canonical SMILES for 3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide is CCC[C@@H](CNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)c1)N(C)C.
What is the InChIKey of 3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide?
The InChIKey is IHIGWZSODKVCSX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-6-19(24(2)3)14-23-21(26)18-8-5-7-17(13-18)15-9-11-16(12-10-15)20(22)25/h5,7-13,19H,4,6,14H2,1-3H3,(H2,22,25)(H,23,26)/t19-/m0/s1.
What are the key properties of 3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide?
3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide is sourced from PubChem (CID 126430841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).