3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea

C14H20N2O2 — CID 61346463

IUPAC3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea
SMILESCCN(C(=O)Nc1ccc(C(C)=O)cc1)C(C)C
InChIInChI=1S/C14H20N2O2/c1-5-16(10(2)3)14(18)15-13-8-6-12(7-9-13)11(4)17/h6-10H,5H2,1-4H3,(H,15,18)
InChIKeyVFMIVODNHZTBAY-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.15
Rot. Bonds4

About 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea

3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea (PubChem CID 61346463) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea
PubChem CID61346463
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea
SMILESCCN(C(=O)Nc1ccc(C(C)=O)cc1)C(C)C
InChIInChI=1S/C14H20N2O2/c1-5-16(10(2)3)14(18)15-13-8-6-12(7-9-13)11(4)17/h6-10H,5H2,1-4H3,(H,15,18)
InChIKeyVFMIVODNHZTBAY-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea 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-[(4-acetylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 60724260
3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea
CID 47186238
3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
CID 74225561
3-(4-aminophenyl)-1-butan-2-yl-1-ethylurea
CID 43469114
4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide
CID 9326771
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
3-(4-acetylphenyl)-1,1-diethylthiourea
CID 19652941
3-(4-acetylphenyl)-1-(2,2-difluoroethyl)-1-methylurea
CID 115612021
3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94798542
N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide
CID 3329908
3-(4-acetylphenyl)-1-methyl-1-pentylurea
CID 61347403
N-(4-acetylphenyl)ethanethioamide;propane
CID 143275437

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea?
The IUPAC name of 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea (CID 61346463) is 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea?
The canonical SMILES for 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea is CCN(C(=O)Nc1ccc(C(C)=O)cc1)C(C)C.
What is the InChIKey of 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea?
The InChIKey is VFMIVODNHZTBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-16(10(2)3)14(18)15-13-8-6-12(7-9-13)11(4)17/h6-10H,5H2,1-4H3,(H,15,18).
What are the key properties of 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea?
3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea has a molecular weight of 248.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea is sourced from PubChem (CID 61346463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).