2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride

C14H22ClN3O3 — CID 119745886

IUPAC2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCc1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-3-9-14(2,15)13(18)16-10-8-11-4-6-12(7-5-11)17(19)20;/h4-7H,3,8-10,15H2,1-2H3,(H,16,18);1H
InChIKeyFDTQBMRWCJAUDO-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.19
Rot. Bonds7

About 2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride (PubChem CID 119745886) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride
PubChem CID119745886
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Name2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCc1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-3-9-14(2,15)13(18)16-10-8-11-4-6-12(7-5-11)17(19)20;/h4-7H,3,8-10,15H2,1-2H3,(H,16,18);1H
InChIKeyFDTQBMRWCJAUDO-UHFFFAOYSA-N
XLogP2.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(4-nitrophenyl)ethyl]propanamide
CID 79793079
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542
N'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119742406
N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464485
2-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119788074
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119770336
2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
CID 119774865

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride (CID 119745886) is 2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NCCc1ccc([N+](=O)[O-])cc1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride?
The InChIKey is FDTQBMRWCJAUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-3-9-14(2,15)13(18)16-10-8-11-4-6-12(7-5-11)17(19)20;/h4-7H,3,8-10,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119745886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).