(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride

C18H28ClN3O3 — CID 119724577

IUPAC(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1N1CCCCC1=O.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-18(2,3)16(19)17(23)20-12-8-9-14(24-4)13(11-12)21-10-6-5-7-15(21)22;/h8-9,11,16H,5-7,10,19H2,1-4H3,(H,20,23);1H/t16-;/m1./s1
InChIKeyKFVBKQBIBGBVQO-PKLMIRHRSA-N
MW369.89 g/mol
LogP2.95
Rot. Bonds4

About (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119724577) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119724577
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1N1CCCCC1=O.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-18(2,3)16(19)17(23)20-12-8-9-14(24-4)13(11-12)21-10-6-5-7-15(21)22;/h8-9,11,16H,5-7,10,19H2,1-4H3,(H,20,23);1H/t16-;/m1./s1
InChIKeyKFVBKQBIBGBVQO-PKLMIRHRSA-N
XLogP2.95
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride with MolForge

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Related Compounds

2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119724605
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 146136090
2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55692123
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666903
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide
CID 119724562

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride (CID 119724577) is (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride is COc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1N1CCCCC1=O.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is KFVBKQBIBGBVQO-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-18(2,3)16(19)17(23)20-12-8-9-14(24-4)13(11-12)21-10-6-5-7-15(21)22;/h8-9,11,16H,5-7,10,19H2,1-4H3,(H,20,23);1H/t16-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119724577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).