N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide

C15H22N4O3 — CID 47065348

IUPACN-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(NC(=O)CC)cc1
InChIInChI=1S/C15H22N4O3/c1-4-13(20)18-12-8-6-11(7-9-12)17-10(3)14(21)19-15(22)16-5-2/h6-10,17H,4-5H2,1-3H3,(H,18,20)(H2,16,19,21,22)
InChIKeyNPFXGDGCBHJMIR-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.68
Rot. Bonds6

About N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide

N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide (PubChem CID 47065348) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
PubChem CID47065348
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(NC(=O)CC)cc1
InChIInChI=1S/C15H22N4O3/c1-4-13(20)18-12-8-6-11(7-9-12)17-10(3)14(21)19-15(22)16-5-2/h6-10,17H,4-5H2,1-3H3,(H,18,20)(H2,16,19,21,22)
InChIKeyNPFXGDGCBHJMIR-UHFFFAOYSA-N
XLogP1.68
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
N-(ethylcarbamoyl)-2-[4-[2-(methylamino)-2-oxoethyl]anilino]propanamide
CID 86924151
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide
CID 32737082
2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide
CID 55572485
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
CID 47079085

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide (CID 47065348) is N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide is CCNC(=O)NC(=O)C(C)Nc1ccc(NC(=O)CC)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide?
The InChIKey is NPFXGDGCBHJMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-13(20)18-12-8-6-11(7-9-12)17-10(3)14(21)19-15(22)16-5-2/h6-10,17H,4-5H2,1-3H3,(H,18,20)(H2,16,19,21,22).
What are the key properties of N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide?
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide has a molecular weight of 306.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide is sourced from PubChem (CID 47065348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).