1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea

C14H22N2O2 — CID 111452689

IUPAC1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCc1ccc(NC(=O)NC(CC)CCO)cc1
InChIInChI=1S/C14H22N2O2/c1-3-11-5-7-13(8-6-11)16-14(18)15-12(4-2)9-10-17/h5-8,12,17H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyJVRZLWLNAXRSAK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.53
Rot. Bonds6

About 1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea

1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111452689) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
PubChem CID111452689
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCc1ccc(NC(=O)NC(CC)CCO)cc1
InChIInChI=1S/C14H22N2O2/c1-3-11-5-7-13(8-6-11)16-14(18)15-12(4-2)9-10-17/h5-8,12,17H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyJVRZLWLNAXRSAK-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxypentan-3-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111453411
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473009
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111474945
3-[(4-ethylphenyl)carbamoylamino]butanoic acid
CID 61190715
1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452995
1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111453499
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea
CID 40625211

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea (CID 111452689) is 1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea is CCc1ccc(NC(=O)NC(CC)CCO)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is JVRZLWLNAXRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11-5-7-13(8-6-11)16-14(18)15-12(4-2)9-10-17/h5-8,12,17H,3-4,9-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea?
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 250.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111452689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).