3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride

C16H24ClN3O2 — CID 119716995

IUPAC3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccccc1CN1CCCC1=O.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(17)9-15(20)18-10-13-5-2-3-6-14(13)11-19-8-4-7-16(19)21;/h2-3,5-6,12H,4,7-11,17H2,1H3,(H,18,20);1H
InChIKeySSWICDSXVDWEMV-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.58
Rot. Bonds6

About 3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride

3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride (PubChem CID 119716995) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
PubChem CID119716995
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccccc1CN1CCCC1=O.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(17)9-15(20)18-10-13-5-2-3-6-14(13)11-19-8-4-7-16(19)21;/h2-3,5-6,12H,4,7-11,17H2,1H3,(H,18,20);1H
InChIKeySSWICDSXVDWEMV-UHFFFAOYSA-N
XLogP1.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119285797
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
2-methyl-1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine
CID 111124369
3-amino-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 120873546
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009
(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94021481
3-(2-methoxyphenoxy)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86924907
1,2-dimethyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110914901
1-[(2-ethylphenyl)methyl]-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111635783
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95592054
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrazol-1-ylbutanamide
CID 118782127

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride (CID 119716995) is 3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride is CC(N)CC(=O)NCc1ccccc1CN1CCCC1=O.Cl.
What is the InChIKey of 3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride?
The InChIKey is SSWICDSXVDWEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12(17)9-15(20)18-10-13-5-2-3-6-14(13)11-19-8-4-7-16(19)21;/h2-3,5-6,12H,4,7-11,17H2,1H3,(H,18,20);1H.
What are the key properties of 3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride?
3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119716995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).