3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide

C23H27N3O3 — CID 55883848

IUPAC3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NCc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C23H27N3O3/c1-16-7-5-9-19(13-16)22(28)25-17(2)21(27)24-15-18-8-6-10-20(14-18)23(29)26-11-3-4-12-26/h5-10,13-14,17H,3-4,11-12,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJCMPCNLPMZAAJP-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.67
Rot. Bonds6

About 3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide

3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide (PubChem CID 55883848) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide
PubChem CID55883848
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NCc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C23H27N3O3/c1-16-7-5-9-19(13-16)22(28)25-17(2)21(27)24-15-18-8-6-10-20(14-18)23(29)26-11-3-4-12-26/h5-10,13-14,17H,3-4,11-12,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJCMPCNLPMZAAJP-UHFFFAOYSA-N
XLogP2.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46477196
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
N-[3-[[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862760
4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide
CID 55693102
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
1-(2,5-dimethylphenyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075864
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 97060567

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide (CID 55883848) is 3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide is Cc1cccc(C(=O)NC(C)C(=O)NCc2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of 3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide?
The InChIKey is JCMPCNLPMZAAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-7-5-9-19(13-16)22(28)25-17(2)21(27)24-15-18-8-6-10-20(14-18)23(29)26-11-3-4-12-26/h5-10,13-14,17H,3-4,11-12,15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide?
3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 55883848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).