2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride

C20H32ClN3O3 — CID 119288275

IUPAC2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(CC)c1ccccc1OCC(=O)N1CCCC1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-3-9-16(21)20(25)22-17(4-2)15-10-5-6-11-18(15)26-14-19(24)23-12-7-8-13-23;/h5-6,10-11,16-17H,3-4,7-9,12-14,21H2,1-2H3,(H,22,25);1H
InChIKeyIYHLETUJYWVWFE-UHFFFAOYSA-N
MW397.95 g/mol
LogP2.80
Rot. Bonds9

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

2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride (PubChem CID 119288275) has the molecular formula C20H32ClN3O3 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride
PubChem CID119288275
Molecular FormulaC20H32ClN3O3
Molecular Weight397.95 g/mol
Exact Mass397.21
IUPAC Name2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(CC)c1ccccc1OCC(=O)N1CCCC1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-3-9-16(21)20(25)22-17(4-2)15-10-5-6-11-18(15)26-14-19(24)23-12-7-8-13-23;/h5-6,10-11,16-17H,3-4,7-9,12-14,21H2,1-2H3,(H,22,25);1H
InChIKeyIYHLETUJYWVWFE-UHFFFAOYSA-N
XLogP2.80
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901922
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
CID 55958604
3,4-dichloro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 60534577
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide
CID 120787234
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779
2-(oxolan-2-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 51121409
3-(4-fluorophenyl)sulfanyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
CID 55902042
2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97238303
3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
CID 55901152
2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide
CID 55901923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride (CID 119288275) is 2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(CC)c1ccccc1OCC(=O)N1CCCC1.Cl.
What is the InChIKey of 2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride?
The InChIKey is IYHLETUJYWVWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3.ClH/c1-3-9-16(21)20(25)22-17(4-2)15-10-5-6-11-18(15)26-14-19(24)23-12-7-8-13-23;/h5-6,10-11,16-17H,3-4,7-9,12-14,21H2,1-2H3,(H,22,25);1H.
What are the key properties of 2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride?
2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119288275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).