2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide

C24H27N3O3 — CID 55961993

IUPAC2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C24H27N3O3/c1-26(23(29)18-11-12-18)21-10-3-2-9-20(21)22(28)25-16-17-7-6-8-19(15-17)24(30)27-13-4-5-14-27/h2-3,6-10,15,18H,4-5,11-14,16H2,1H3,(H,25,28)
InChIKeyUNSDPIARCZBCRR-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.23
Rot. Bonds6

About 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide

2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 55961993) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID55961993
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C24H27N3O3/c1-26(23(29)18-11-12-18)21-10-3-2-9-20(21)22(28)25-16-17-7-6-8-19(15-17)24(30)27-13-4-5-14-27/h2-3,6-10,15,18H,4-5,11-14,16H2,1H3,(H,25,28)
InChIKeyUNSDPIARCZBCRR-UHFFFAOYSA-N
XLogP3.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55966598
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55722118
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858
2-(2-cyanophenyl)sulfanyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 39474944
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55722187
5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110839
N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
CID 136578590
4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 55722351
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid
CID 119351711

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (CID 55961993) is 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is UNSDPIARCZBCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-26(23(29)18-11-12-18)21-10-3-2-9-20(21)22(28)25-16-17-7-6-8-19(15-17)24(30)27-13-4-5-14-27/h2-3,6-10,15,18H,4-5,11-14,16H2,1H3,(H,25,28).
What are the key properties of 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55961993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).