4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide

C19H23N3O3 — CID 8514410

IUPAC4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
SMILESCOc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-13(22(2)12-14-5-4-6-17(11-14)25-3)19(24)21-16-9-7-15(8-10-16)18(20)23/h4-11,13H,12H2,1-3H3,(H2,20,23)(H,21,24)/t13-/m0/s1
InChIKeyXBMYTUOKUINKNM-ZDUSSCGKSA-N
MW341.41 g/mol
LogP2.25
Rot. Bonds7

About 4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide

4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide (PubChem CID 8514410) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
PubChem CID8514410
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
SMILESCOc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-13(22(2)12-14-5-4-6-17(11-14)25-3)19(24)21-16-9-7-15(8-10-16)18(20)23/h4-11,13H,12H2,1-3H3,(H2,20,23)(H,21,24)/t13-/m0/s1
InChIKeyXBMYTUOKUINKNM-ZDUSSCGKSA-N
XLogP2.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 9054222
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193
(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356827
(2S)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 2656706
(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
CID 9039901
4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
CID 17424194
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787774
(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 9167652
N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
CID 55525219
4-[[(2S)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propanoyl]amino]benzamide
CID 51939505

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide (CID 8514410) is 4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide is COc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide?
The InChIKey is XBMYTUOKUINKNM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(22(2)12-14-5-4-6-17(11-14)25-3)19(24)21-16-9-7-15(8-10-16)18(20)23/h4-11,13H,12H2,1-3H3,(H2,20,23)(H,21,24)/t13-/m0/s1.
What are the key properties of 4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide?
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide is sourced from PubChem (CID 8514410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).