2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide

C14H21N3O2 — CID 134008013

IUPAC2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1ccc(C)c(C)c1
InChIInChI=1S/C14H21N3O2/c1-4-7-15-14(19)17-13(18)9-16-12-6-5-10(2)11(3)8-12/h5-6,8,16H,4,7,9H2,1-3H3,(H2,15,17,18,19)
InChIKeyBSAWIZAWRUNSMJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds5

About 2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide

2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide (PubChem CID 134008013) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide
PubChem CID134008013
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1ccc(C)c(C)c1
InChIInChI=1S/C14H21N3O2/c1-4-7-15-14(19)17-13(18)9-16-12-6-5-10(2)11(3)8-12/h5-6,8,16H,4,7,9H2,1-3H3,(H2,15,17,18,19)
InChIKeyBSAWIZAWRUNSMJ-UHFFFAOYSA-N
XLogP1.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-3-methylanilino)-N-propylacetamide
CID 113346217
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
2-(3,4-dimethylanilino)acetamide
CID 28580413
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-nitroanilino)acetamide
CID 9274168
2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
CID 37475095
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
2-(naphthalen-2-ylamino)-N-propylacetamide
CID 43400801
N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8787700
N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 55476313

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide (CID 134008013) is 2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CNc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide?
The InChIKey is BSAWIZAWRUNSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-7-15-14(19)17-13(18)9-16-12-6-5-10(2)11(3)8-12/h5-6,8,16H,4,7,9H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide?
2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 134008013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).