N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide

C22H27N3O2 — CID 60560652

IUPACN-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C22H27N3O2/c1-16(2)23-22(27)19-10-3-4-11-20(19)24-21(26)18-9-7-8-17(14-18)15-25-12-5-6-13-25/h3-4,7-11,14,16H,5-6,12-13,15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyYERMMCPWFGCJIO-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.67
Rot. Bonds6

About N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide

N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide (PubChem CID 60560652) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
PubChem CID60560652
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C22H27N3O2/c1-16(2)23-22(27)19-10-3-4-11-20(19)24-21(26)18-9-7-8-17(14-18)15-25-12-5-6-13-25/h3-4,7-11,14,16H,5-6,12-13,15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyYERMMCPWFGCJIO-UHFFFAOYSA-N
XLogP3.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 120603890
N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560740
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100
2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
CID 34567999
1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923335
3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 60560548
N-butan-2-yl-2-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzamide
CID 43923588
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
(2S,3S)-3-methyl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]pentanoic acid
CID 92929044

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide (CID 60560652) is N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide is CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(CN2CCCC2)c1.
What is the InChIKey of N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is YERMMCPWFGCJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)23-22(27)19-10-3-4-11-20(19)24-21(26)18-9-7-8-17(14-18)15-25-12-5-6-13-25/h3-4,7-11,14,16H,5-6,12-13,15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 60560652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).