1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea

C17H28N2O2 — CID 61438276

IUPAC1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCCC(CC)CN(CC)C(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C17H28N2O2/c1-5-14(6-2)12-19(7-3)17(21)18-16-10-8-9-15(11-16)13(4)20/h8-11,13-14,20H,5-7,12H2,1-4H3,(H,18,21)
InChIKeyRTCKVSUZGQTUFL-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.03
Rot. Bonds7

About 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea

1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 61438276) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID61438276
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCCC(CC)CN(CC)C(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C17H28N2O2/c1-5-14(6-2)12-19(7-3)17(21)18-16-10-8-9-15(11-16)13(4)20/h8-11,13-14,20H,5-7,12H2,1-4H3,(H,18,21)
InChIKeyRTCKVSUZGQTUFL-UHFFFAOYSA-N
XLogP4.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea 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

1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218
1,1-bis(cyanomethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339790
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439
1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 63836496
1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 64521431
3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea
CID 63939898
2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 106590949
N-ethyl-2-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-N-methylpropanamide
CID 103113367
3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107809460
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(2-methylbutyl)urea
CID 61339498
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea (CID 61438276) is 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea is CCC(CC)CN(CC)C(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is RTCKVSUZGQTUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-14(6-2)12-19(7-3)17(21)18-16-10-8-9-15(11-16)13(4)20/h8-11,13-14,20H,5-7,12H2,1-4H3,(H,18,21).
What are the key properties of 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 292.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61438276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).