3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide

C21H25N3O3 — CID 119949591

IUPAC3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
SMILESNC(CC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C21H25N3O3/c22-19(16-7-2-1-3-8-16)14-20(25)23-17-9-6-10-18(13-17)27-15-21(26)24-11-4-5-12-24/h1-3,6-10,13,19H,4-5,11-12,14-15,22H2,(H,23,25)
InChIKeyZYNNZEDPJVWSGU-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.72
Rot. Bonds7

About 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide

3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide (PubChem CID 119949591) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
PubChem CID119949591
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
SMILESNC(CC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C21H25N3O3/c22-19(16-7-2-1-3-8-16)14-20(25)23-17-9-6-10-18(13-17)27-15-21(26)24-11-4-5-12-24/h1-3,6-10,13,19H,4-5,11-12,14-15,22H2,(H,23,25)
InChIKeyZYNNZEDPJVWSGU-UHFFFAOYSA-N
XLogP2.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949876
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120588334
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid
CID 122075528
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713879
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide (CID 119949591) is 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide is NC(CC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide?
The InChIKey is ZYNNZEDPJVWSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-19(16-7-2-1-3-8-16)14-20(25)23-17-9-6-10-18(13-17)27-15-21(26)24-11-4-5-12-24/h1-3,6-10,13,19H,4-5,11-12,14-15,22H2,(H,23,25).
What are the key properties of 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide?
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide has a molecular weight of 367.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119949591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).