4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide

C22H28N4O2 — CID 119953883

IUPAC4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESNC(CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c23-20(17-6-2-1-3-7-17)16-21(27)25-19-10-8-18(9-11-19)22(28)24-12-15-26-13-4-5-14-26/h1-3,6-11,20H,4-5,12-16,23H2,(H,24,28)(H,25,27)
InChIKeyKPHQGOWMGXHMKG-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.54
Rot. Bonds8

About 4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide

4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 119953883) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID119953883
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESNC(CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c23-20(17-6-2-1-3-7-17)16-21(27)25-19-10-8-18(9-11-19)22(28)24-12-15-26-13-4-5-14-26/h1-3,6-11,20H,4-5,12-16,23H2,(H,24,28)(H,25,27)
InChIKeyKPHQGOWMGXHMKG-UHFFFAOYSA-N
XLogP2.54
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride
CID 119949582
3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 119953878
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885629
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885631
3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide
CID 119953269
N-[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 71573235
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885625
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119950377

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 119953883) is 4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide is NC(CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is KPHQGOWMGXHMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c23-20(17-6-2-1-3-7-17)16-21(27)25-19-10-8-18(9-11-19)22(28)24-12-15-26-13-4-5-14-26/h1-3,6-11,20H,4-5,12-16,23H2,(H,24,28)(H,25,27).
What are the key properties of 4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 119953883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).