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

C21H26ClN3O3 — CID 120588334

IUPAC2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccccc1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-21(22,16-8-3-2-4-9-16)20(26)23-17-10-7-11-18(14-17)27-15-19(25)24-12-5-6-13-24;/h2-4,7-11,14H,5-6,12-13,15,22H2,1H3,(H,23,26);1H
InChIKeyHNZXPKGRFBWOJP-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.92
Rot. Bonds6

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

2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120588334) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
PubChem CID120588334
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccccc1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-21(22,16-8-3-2-4-9-16)20(26)23-17-10-7-11-18(14-17)27-15-19(25)24-12-5-6-13-24;/h2-4,7-11,14H,5-6,12-13,15,22H2,1H3,(H,23,26);1H
InChIKeyHNZXPKGRFBWOJP-UHFFFAOYSA-N
XLogP2.92
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 60530152
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide
CID 120596891
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
CID 119949591
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 120621130
4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid
CID 122075528

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride (CID 120588334) is 2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is HNZXPKGRFBWOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-21(22,16-8-3-2-4-9-16)20(26)23-17-10-7-11-18(14-17)27-15-19(25)24-12-5-6-13-24;/h2-4,7-11,14H,5-6,12-13,15,22H2,1H3,(H,23,26);1H.
What are the key properties of 2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120588334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).