2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide

C12H17N3O4 — CID 18980103

IUPAC2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1N(C)C(=O)CN(C)C
InChIInChI=1S/C12H17N3O4/c1-13(2)8-12(16)14(3)10-7-9(15(17)18)5-6-11(10)19-4/h5-7H,8H2,1-4H3
InChIKeyPKIHIWXAQVUJQJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.13
Rot. Bonds5

About 2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide

2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide (PubChem CID 18980103) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide
PubChem CID18980103
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1N(C)C(=O)CN(C)C
InChIInChI=1S/C12H17N3O4/c1-13(2)8-12(16)14(3)10-7-9(15(17)18)5-6-11(10)19-4/h5-7H,8H2,1-4H3
InChIKeyPKIHIWXAQVUJQJ-UHFFFAOYSA-N
XLogP1.13
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
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-(2-methoxy-5-nitrophenyl)-N-methylpropanamide
CID 59167877
N-(2-methoxy-5-nitrophenyl)propanehydrazide
CID 71146725
N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 134044889
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid
CID 57351837
N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
CID 59092898
2-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetic acid
CID 28590072
propan-2-yl 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetate
CID 50893989
N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
CID 134005734
methyl 2-[(2-methoxy-5-nitrobenzoyl)-methylamino]acetate
CID 43407682
2-(3,4-dimethoxy-N-methylanilino)-4-nitrobenzoic acid
CID 44721649
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-propan-2-ylacetamide
CID 5000921

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide?
The IUPAC name of 2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide (CID 18980103) is 2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide is COc1ccc([N+](=O)[O-])cc1N(C)C(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide?
The InChIKey is PKIHIWXAQVUJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-13(2)8-12(16)14(3)10-7-9(15(17)18)5-6-11(10)19-4/h5-7H,8H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide?
2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide has a molecular weight of 267.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide is sourced from PubChem (CID 18980103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).