2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride

C14H22ClN3O3 — CID 119723180

IUPAC2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-4-9-14(2,15)13(18)16(3)10-11-7-5-6-8-12(11)17(19)20;/h5-8H,4,9-10,15H2,1-3H3;1H
InChIKeyVIWVCLYYDMHEHQ-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.49
Rot. Bonds6

About 2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride

2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride (PubChem CID 119723180) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride
PubChem CID119723180
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Name2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-4-9-14(2,15)13(18)16(3)10-11-7-5-6-8-12(11)17(19)20;/h5-8H,4,9-10,15H2,1-3H3;1H
InChIKeyVIWVCLYYDMHEHQ-UHFFFAOYSA-N
XLogP2.49
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
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-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682478
2-methyl-1-(2-nitrophenyl)pentan-2-amine
CID 65020088
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 106112051
2-amino-N,3-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 60945232
2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 79804817
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699
4-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]-5-propylthiophene-2-carboxamide
CID 112819464
5-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]thiophene-2-carboxamide
CID 46399191
1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 60946127
4-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]butanamide
CID 80542921
3-(1,3-benzothiazol-2-yl)-N,2-dimethyl-N-[(2-nitrophenyl)methyl]-2-phenylpropanamide
CID 46399250

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride (CID 119723180) is 2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-].Cl.
What is the InChIKey of 2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride?
The InChIKey is VIWVCLYYDMHEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-4-9-14(2,15)13(18)16(3)10-11-7-5-6-8-12(11)17(19)20;/h5-8H,4,9-10,15H2,1-3H3;1H.
What are the key properties of 2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride?
2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119723180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).