N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride

C19H32ClN3O2 — CID 119653358

IUPACN-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)NC(C(=O)N(C)CC(C)(C)CN)c1ccccc1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-14(2)11-16(23)21-17(15-9-7-6-8-10-15)18(24)22(5)13-19(3,4)12-20;/h6-10,14,17H,11-13,20H2,1-5H3,(H,21,23);1H
InChIKeyZKPADDOOQRJARQ-UHFFFAOYSA-N
MW369.94 g/mol
LogP2.76
Rot. Bonds8

About N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride

N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride (PubChem CID 119653358) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride
PubChem CID119653358
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)NC(C(=O)N(C)CC(C)(C)CN)c1ccccc1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-14(2)11-16(23)21-17(15-9-7-6-8-10-15)18(24)22(5)13-19(3,4)12-20;/h6-10,14,17H,11-13,20H2,1-5H3,(H,21,23);1H
InChIKeyZKPADDOOQRJARQ-UHFFFAOYSA-N
XLogP2.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
N-(2-amino-2-hydroxyimino-1-phenylethyl)-3-methylbutanamide
CID 76891327
3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride
CID 119500815
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119653013
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 119653171
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119654619
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119657176
methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate
CID 79652279
3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
CID 60836669

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride (CID 119653358) is N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride is CC(C)CC(=O)NC(C(=O)N(C)CC(C)(C)CN)c1ccccc1.Cl.
What is the InChIKey of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride?
The InChIKey is ZKPADDOOQRJARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.ClH/c1-14(2)11-16(23)21-17(15-9-7-6-8-10-15)18(24)22(5)13-19(3,4)12-20;/h6-10,14,17H,11-13,20H2,1-5H3,(H,21,23);1H.
What are the key properties of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride?
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119653358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).