1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea

C14H22N2O2 — CID 121112411

IUPAC1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea
SMILESCCNC(=O)NCCC(CCO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-15-14(18)16-10-8-13(9-11-17)12-6-4-3-5-7-12/h3-7,13,17H,2,8-11H2,1H3,(H2,15,16,18)
InChIKeyLNNRJYFQIMPQHD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds7

About 1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea

1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea (PubChem CID 121112411) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea
PubChem CID121112411
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea
SMILESCCNC(=O)NCCC(CCO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-15-14(18)16-10-8-13(9-11-17)12-6-4-3-5-7-12/h3-7,13,17H,2,8-11H2,1H3,(H2,15,16,18)
InChIKeyLNNRJYFQIMPQHD-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
CID 99872943
1-(5-hydroxy-3-phenylpentyl)-3-(4-methoxyphenyl)urea
CID 121112426
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
CID 121112259
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
4-ethoxy-N-(5-hydroxy-3-phenylpentyl)benzamide
CID 121112163
N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide
CID 121112357
3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872845
N-(5-hydroxy-3-phenylpentyl)-4-methoxybenzamide
CID 121112144

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea?
The IUPAC name of 1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea (CID 121112411) is 1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea.
What is the SMILES notation for 1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea?
The canonical SMILES for 1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea is CCNC(=O)NCCC(CCO)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea?
The InChIKey is LNNRJYFQIMPQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-15-14(18)16-10-8-13(9-11-17)12-6-4-3-5-7-12/h3-7,13,17H,2,8-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea?
1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea has a molecular weight of 250.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea is sourced from PubChem (CID 121112411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).