2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide

C13H19N3O2 — CID 43084470

IUPAC2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
SMILESCCc1cccc(NC(C)C(=O)NC(=O)NC)c1
InChIInChI=1S/C13H19N3O2/c1-4-10-6-5-7-11(8-10)15-9(2)12(17)16-13(18)14-3/h5-9,15H,4H2,1-3H3,(H2,14,16,17,18)
InChIKeyLHCQSUXDWGUTGY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.50
Rot. Bonds4

About 2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide

2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 43084470) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
PubChem CID43084470
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
SMILESCCc1cccc(NC(C)C(=O)NC(=O)NC)c1
InChIInChI=1S/C13H19N3O2/c1-4-10-6-5-7-11(8-10)15-9(2)12(17)16-13(18)14-3/h5-9,15H,4H2,1-3H3,(H2,14,16,17,18)
InChIKeyLHCQSUXDWGUTGY-UHFFFAOYSA-N
XLogP1.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
1-(3-ethylanilino)ethanol
CID 174601913
N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
CID 46667072
2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083698
2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide
CID 78841829
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide
CID 47079954
2-(dibenzofuran-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 17430257
2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 51178190

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide (CID 43084470) is 2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide is CCc1cccc(NC(C)C(=O)NC(=O)NC)c1.
What is the InChIKey of 2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is LHCQSUXDWGUTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-10-6-5-7-11(8-10)15-9(2)12(17)16-13(18)14-3/h5-9,15H,4H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide?
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43084470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).