2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide

C14H19N3O3 — CID 551560

IUPAC2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O3/c1-3-10(4-2)12(18)16-14(20)17-13(19)15-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyHAJAEZFTRYDPGD-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.48
Rot. Bonds4

About 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide

2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide (PubChem CID 551560) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide
PubChem CID551560
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O3/c1-3-10(4-2)12(18)16-14(20)17-13(19)15-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyHAJAEZFTRYDPGD-UHFFFAOYSA-N
XLogP2.48
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide 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

2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide
CID 67945076
(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
CID 12951440
1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate
CID 161323635
1-(2-ethylbutyl)-3-phenylurea
CID 54410955
1-methyl-3-phenylurea;propane
CID 142949663
3-oxo-N-(phenylcarbamoyl)butanamide
CID 10466039
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
methyl N-(phenylcarbamoyl)carbamate
CID 13097714
1-(2-hydroxyethyl)-3-(phenylcarbamoyl)urea
CID 24738766
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide?
The IUPAC name of 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide (CID 551560) is 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide?
The canonical SMILES for 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide is CCC(CC)C(=O)NC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide?
The InChIKey is HAJAEZFTRYDPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-10(4-2)12(18)16-14(20)17-13(19)15-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide?
2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide has a molecular weight of 277.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide is sourced from PubChem (CID 551560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).