1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea

C15H24N2O2 — CID 108888312

IUPAC1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-14(4-2)16-15(19)17(10-11-18)12-13-8-6-5-7-9-13/h5-9,14,18H,3-4,10-12H2,1-2H3,(H,16,19)
InChIKeySAWOIPUJVJHMBN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.38
Rot. Bonds7

About 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea

1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea (PubChem CID 108888312) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
PubChem CID108888312
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-14(4-2)16-15(19)17(10-11-18)12-13-8-6-5-7-9-13/h5-9,14,18H,3-4,10-12H2,1-2H3,(H,16,19)
InChIKeySAWOIPUJVJHMBN-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-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

4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028172
1-benzyl-3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 110895092
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea
CID 111439042
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea?
The IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea (CID 108888312) is 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea?
The canonical SMILES for 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea is CCC(CC)NC(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea?
The InChIKey is SAWOIPUJVJHMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-14(4-2)16-15(19)17(10-11-18)12-13-8-6-5-7-9-13/h5-9,14,18H,3-4,10-12H2,1-2H3,(H,16,19).
What are the key properties of 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea?
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea has a molecular weight of 264.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea is sourced from PubChem (CID 108888312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).