N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide

C13H20N4O3 — CID 62183273

IUPACN,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
SMILESCNc1ccc(CN(C)CC(=O)N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-14-11-6-5-10(7-12(11)17(19)20)8-16(4)9-13(18)15(2)3/h5-7,14H,8-9H2,1-4H3
InChIKeyIREYMODMOVNHMA-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.16
Rot. Bonds6

About N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide

N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide (PubChem CID 62183273) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
PubChem CID62183273
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
SMILESCNc1ccc(CN(C)CC(=O)N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-14-11-6-5-10(7-12(11)17(19)20)8-16(4)9-13(18)15(2)3/h5-7,14H,8-9H2,1-4H3
InChIKeyIREYMODMOVNHMA-UHFFFAOYSA-N
XLogP1.16
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
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-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline
CID 62182211
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-methyl-2-nitroaniline
CID 62182642
2-[butyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
CID 62184589
4-[[ethyl(propyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62182905
4-[[butyl(ethyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62181996
4-[[methyl(propyl)amino]methyl]-2-nitro-N-propylaniline
CID 62183615
2-[[4-(methylamino)-3-nitrophenyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486247
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9054049
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343
2-[(4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82972700
4-(methylamino)-3-nitrophenol
CID 22832045

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide (CID 62183273) is N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide is CNc1ccc(CN(C)CC(=O)N(C)C)cc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide?
The InChIKey is IREYMODMOVNHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-14-11-6-5-10(7-12(11)17(19)20)8-16(4)9-13(18)15(2)3/h5-7,14H,8-9H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide?
N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide has a molecular weight of 280.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide is sourced from PubChem (CID 62183273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).