N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide

C11H16N4O3 — CID 80783693

IUPACN,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide
SMILESCNc1cccc(NCC(=O)N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-12-8-5-4-6-9(11(8)15(17)18)13-7-10(16)14(2)3/h4-6,12-13H,7H2,1-3H3
InChIKeyFDTOGEYIRIQODS-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.14
Rot. Bonds5

About N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide

N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide (PubChem CID 80783693) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide
PubChem CID80783693
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide
SMILESCNc1cccc(NCC(=O)N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-12-8-5-4-6-9(11(8)15(17)18)13-7-10(16)14(2)3/h4-6,12-13H,7H2,1-3H3
InChIKeyFDTOGEYIRIQODS-UHFFFAOYSA-N
XLogP1.14
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.14
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

2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 60789586
2-(3-cyano-2-nitroanilino)-N,N-dimethylacetamide
CID 113444929
2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 115507715
2-hydroxy-3-[3-(methylamino)-2-nitroanilino]propanamide
CID 106178862
1-N-methyl-3-N-[4-[methyl(propan-2-yl)amino]butyl]-2-nitrobenzene-1,3-diamine
CID 80796438
3-N-benzyl-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80784770
5-[3-(methylamino)-2-nitroanilino]pentan-1-ol
CID 107324203
1-N-methyl-3-N-(3-methylbutyl)-2-nitrobenzene-1,3-diamine
CID 80785885
3-N-(cyclopropylmethyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80770395
5-[3-(methylamino)-2-nitroanilino]pentan-2-ol
CID 106138125
N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide
CID 103113883
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide (CID 80783693) is N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide is CNc1cccc(NCC(=O)N(C)C)c1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide?
The InChIKey is FDTOGEYIRIQODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-12-8-5-4-6-9(11(8)15(17)18)13-7-10(16)14(2)3/h4-6,12-13H,7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide?
N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide has a molecular weight of 252.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide is sourced from PubChem (CID 80783693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).