N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide

C11H15N3O4 — CID 28570489

IUPACN-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)NC(N)=O)c(OC)c1
InChIInChI=1S/C11H15N3O4/c1-17-7-3-4-8(9(5-7)18-2)13-6-10(15)14-11(12)16/h3-5,13H,6H2,1-2H3,(H3,12,14,15,16)
InChIKeyBKBXKEVWEPLJRI-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.31
Rot. Bonds5

About N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide

N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide (PubChem CID 28570489) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
PubChem CID28570489
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)NC(N)=O)c(OC)c1
InChIInChI=1S/C11H15N3O4/c1-17-7-3-4-8(9(5-7)18-2)13-6-10(15)14-11(12)16/h3-5,13H,6H2,1-2H3,(H3,12,14,15,16)
InChIKeyBKBXKEVWEPLJRI-UHFFFAOYSA-N
XLogP0.31
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-carbamoyl-2-(5-methoxy-2-methylanilino)acetamide
CID 113256460
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
CID 60977202
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 26438685
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
CID 60688672
N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
CID 103412671
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
2,4-dimethoxy-N-(2-methylidenebutyl)aniline
CID 66044244
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
methyl 4-chloro-3-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009549
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide?
The IUPAC name of N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide (CID 28570489) is N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide?
The canonical SMILES for N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide is COc1ccc(NCC(=O)NC(N)=O)c(OC)c1.
What is the InChIKey of N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide?
The InChIKey is BKBXKEVWEPLJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-7-3-4-8(9(5-7)18-2)13-6-10(15)14-11(12)16/h3-5,13H,6H2,1-2H3,(H3,12,14,15,16).
What are the key properties of N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide?
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide has a molecular weight of 253.26 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide is sourced from PubChem (CID 28570489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).