3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide

C22H27N3O2 — CID 71054516

IUPAC3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide
SMILESCc1cc(NC(=O)CCCN2CCCC2)cc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H27N3O2/c1-17-14-18(22(27)24-19-8-3-2-4-9-19)16-20(15-17)23-21(26)10-7-13-25-11-5-6-12-25/h2-4,8-9,14-16H,5-7,10-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyIQVGYHZIZCOWPV-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.06
Rot. Bonds7

About 3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide

3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide (PubChem CID 71054516) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide
PubChem CID71054516
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide
SMILESCc1cc(NC(=O)CCCN2CCCC2)cc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H27N3O2/c1-17-14-18(22(27)24-19-8-3-2-4-9-19)16-20(15-17)23-21(26)10-7-13-25-11-5-6-12-25/h2-4,8-9,14-16H,5-7,10-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyIQVGYHZIZCOWPV-UHFFFAOYSA-N
XLogP4.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-acetyl-5-(3-pyrrolidin-1-ylpropanoylamino)phenyl]carbamoylamino]-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide;toluene
CID 145487920
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
N-phenyl-3-[[3-(phenylcarbamoyl)-5-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamoylamino]-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 25180071
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 143593017
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide
CID 62546343

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide?
The IUPAC name of 3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide (CID 71054516) is 3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide.
What is the SMILES notation for 3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide?
The canonical SMILES for 3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide is Cc1cc(NC(=O)CCCN2CCCC2)cc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide?
The InChIKey is IQVGYHZIZCOWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-14-18(22(27)24-19-8-3-2-4-9-19)16-20(15-17)23-21(26)10-7-13-25-11-5-6-12-25/h2-4,8-9,14-16H,5-7,10-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide?
3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide has a molecular weight of 365.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide is sourced from PubChem (CID 71054516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).