(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide

C21H26N4O3 — CID 164634604

IUPAC(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide
SMILESCN(C)C[C@H]1CN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCO1
InChIInChI=1S/C21H26N4O3/c1-24(2)14-19-15-25(11-12-28-19)21(27)23-18-10-6-9-17(13-18)22-20(26)16-7-4-3-5-8-16/h3-10,13,19H,11-12,14-15H2,1-2H3,(H,22,26)(H,23,27)/t19-/m0/s1
InChIKeyWJBAAVYUAFZJRL-IBGZPJMESA-N
MW382.46 g/mol
LogP2.73
Rot. Bonds5

About (2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide

(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide (PubChem CID 164634604) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide
PubChem CID164634604
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide
SMILESCN(C)C[C@H]1CN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCO1
InChIInChI=1S/C21H26N4O3/c1-24(2)14-19-15-25(11-12-28-19)21(27)23-18-10-6-9-17(13-18)22-20(26)16-7-4-3-5-8-16/h3-10,13,19H,11-12,14-15H2,1-2H3,(H,22,26)(H,23,27)/t19-/m0/s1
InChIKeyWJBAAVYUAFZJRL-IBGZPJMESA-N
XLogP2.73
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 154798666
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990157
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584705
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088781
(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 93338501
2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122089090
2-[[4-[(4-ethyl-3-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088532
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide (CID 164634604) is (2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide is CN(C)C[C@H]1CN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCO1.
What is the InChIKey of (2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide?
The InChIKey is WJBAAVYUAFZJRL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O3/c1-24(2)14-19-15-25(11-12-28-19)21(27)23-18-10-6-9-17(13-18)22-20(26)16-7-4-3-5-8-16/h3-10,13,19H,11-12,14-15H2,1-2H3,(H,22,26)(H,23,27)/t19-/m0/s1.
What are the key properties of (2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide?
(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 164634604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).