2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide

C21H27N3O — CID 119862104

IUPAC2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C21H27N3O/c22-20(16-18-6-2-1-3-7-18)21(25)23-19-10-8-17(9-11-19)12-15-24-13-4-5-14-24/h1-3,6-11,20H,4-5,12-16,22H2,(H,23,25)
InChIKeyWHYAXZIXAMWLQE-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.83
Rot. Bonds7

About 2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide

2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide (PubChem CID 119862104) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide
PubChem CID119862104
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C21H27N3O/c22-20(16-18-6-2-1-3-7-18)21(25)23-19-10-8-17(9-11-19)12-15-24-13-4-5-14-24/h1-3,6-11,20H,4-5,12-16,22H2,(H,23,25)
InChIKeyWHYAXZIXAMWLQE-UHFFFAOYSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119303616
2,2-diphenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575227
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride
CID 119845000
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865081
1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110314409
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942
2-amino-3-phenyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 119264304

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide?
The IUPAC name of 2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide (CID 119862104) is 2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide is NC(Cc1ccccc1)C(=O)Nc1ccc(CCN2CCCC2)cc1.
What is the InChIKey of 2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide?
The InChIKey is WHYAXZIXAMWLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c22-20(16-18-6-2-1-3-7-18)21(25)23-19-10-8-17(9-11-19)12-15-24-13-4-5-14-24/h1-3,6-11,20H,4-5,12-16,22H2,(H,23,25).
What are the key properties of 2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide?
2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide is sourced from PubChem (CID 119862104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).