N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide

C15H23N3O3 — CID 115317493

IUPACN-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C15H23N3O3/c1-10(2)12(16)8-9-17(4)15(19)14-11(3)6-5-7-13(14)18(20)21/h5-7,10,12H,8-9,16H2,1-4H3
InChIKeyLTHRIZHJTGBDOG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.35
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide

N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide (PubChem CID 115317493) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide
PubChem CID115317493
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C15H23N3O3/c1-10(2)12(16)8-9-17(4)15(19)14-11(3)6-5-7-13(14)18(20)21/h5-7,10,12H,8-9,16H2,1-4H3
InChIKeyLTHRIZHJTGBDOG-UHFFFAOYSA-N
XLogP2.35
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.35
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

N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
methyl 4-[methyl-(2-methyl-6-nitrobenzoyl)amino]butanoate
CID 60714670
N-(3-amino-4-methylpentyl)-N,5-dimethyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119659634
N-(3-amino-4-methylpentyl)-5-chloro-N-methyl-2-nitrobenzamide
CID 81487192
N-(3-amino-4-methylpentyl)-5-fluoro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119659936
N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
CID 119658549
1-N,4-dimethyl-1-N-[(2-methyl-3-nitrophenyl)methyl]pentane-1,3-diamine
CID 81491325
N-(2-bromo-3-methoxypropyl)-N,2-dimethyl-6-nitrobenzamide
CID 80671334
N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride
CID 119657897
N-(2-bromoethyl)-2-methyl-6-nitro-N-propylbenzamide
CID 80660908
N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride
CID 119658346
2-[(2-methyl-6-nitrobenzoyl)-propylamino]acetic acid
CID 61011658

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide (CID 115317493) is N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide is Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide?
The InChIKey is LTHRIZHJTGBDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)12(16)8-9-17(4)15(19)14-11(3)6-5-7-13(14)18(20)21/h5-7,10,12H,8-9,16H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide?
N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide has a molecular weight of 293.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide is sourced from PubChem (CID 115317493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).