N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide

C14H22N4O3 — CID 82990261

IUPACN,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
SMILESCNCC(C)CNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-10(8-15-2)9-16-12-6-5-11(14(19)17(3)4)7-13(12)18(20)21/h5-7,10,15-16H,8-9H2,1-4H3
InChIKeyFGFFCVIKKMPLHL-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.56
Rot. Bonds7

About N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide

N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide (PubChem CID 82990261) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
PubChem CID82990261
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
SMILESCNCC(C)CNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-10(8-15-2)9-16-12-6-5-11(14(19)17(3)4)7-13(12)18(20)21/h5-7,10,15-16H,8-9H2,1-4H3
InChIKeyFGFFCVIKKMPLHL-UHFFFAOYSA-N
XLogP1.56
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
CID 83000114
3-[4-(dimethylcarbamoyl)-2-nitroanilino]-2-methylpropanoic acid
CID 82989398
2-[4-(dimethylcarbamoyl)-2-nitroanilino]acetic acid
CID 82989393
4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82993221
N,N-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]-4-nitrobenzamide
CID 82990669
4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82989700
N,N-dimethyl-3-nitro-4-(pentan-3-ylamino)benzamide
CID 82993205
N,N-dimethyl-3-nitro-4-(pentan-2-ylamino)benzamide
CID 82990248
4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide
CID 82991749
4-(3-methoxypropylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82992510
3-methyl-4-[4-(methylcarbamoyl)-2-nitroanilino]butanoic acid
CID 82992665
3-[(2-amino-3-hydroxybutyl)amino]-N,N-dimethyl-4-nitrobenzamide
CID 82990915

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide?
The IUPAC name of N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide (CID 82990261) is N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide is CNCC(C)CNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide?
The InChIKey is FGFFCVIKKMPLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(8-15-2)9-16-12-6-5-11(14(19)17(3)4)7-13(12)18(20)21/h5-7,10,15-16H,8-9H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide?
N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide has a molecular weight of 294.36 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide is sourced from PubChem (CID 82990261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).