N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide

C20H24N4O2 — CID 119950213

IUPACN-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESNC(CC(=O)Nc1ccccc1NC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c21-16(15-8-2-1-3-9-15)14-19(25)22-17-10-4-5-11-18(17)23-20(26)24-12-6-7-13-24/h1-5,8-11,16H,6-7,12-14,21H2,(H,22,25)(H,23,26)
InChIKeyFERXZRNWSJOADX-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.34
Rot. Bonds5

About N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 119950213) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID119950213
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESNC(CC(=O)Nc1ccccc1NC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c21-16(15-8-2-1-3-9-15)14-19(25)22-17-10-4-5-11-18(17)23-20(26)24-12-6-7-13-24/h1-5,8-11,16H,6-7,12-14,21H2,(H,22,25)(H,23,26)
InChIKeyFERXZRNWSJOADX-UHFFFAOYSA-N
XLogP3.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
CID 24695343
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029
3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 119954238
3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride
CID 119953315
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride
CID 119950014
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
CID 119949591
3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 119949149
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
CID 119953282
N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide
CID 119950525
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide (CID 119950213) is N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide is NC(CC(=O)Nc1ccccc1NC(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is FERXZRNWSJOADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-16(15-8-2-1-3-9-15)14-19(25)22-17-10-4-5-11-18(17)23-20(26)24-12-6-7-13-24/h1-5,8-11,16H,6-7,12-14,21H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 119950213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).