1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea

C14H22N2O2 — CID 111444676

IUPAC1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC(C)CC(C)O)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-4-6-13(8-10)16-14(18)15-9-11(2)7-12(3)17/h4-6,8,11-12,17H,7,9H2,1-3H3,(H2,15,16,18)
InChIKeyNGMSEXAYCUTQPY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.52
Rot. Bonds5

About 1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea

1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea (PubChem CID 111444676) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
PubChem CID111444676
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC(C)CC(C)O)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-4-6-13(8-10)16-14(18)15-9-11(2)7-12(3)17/h4-6,8,11-12,17H,7,9H2,1-3H3,(H2,15,16,18)
InChIKeyNGMSEXAYCUTQPY-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethyl)phenyl]-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95981533
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197
1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea
CID 111453401
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183
1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452989
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452821
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
CID 90496950
1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95635554

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea (CID 111444676) is 1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCC(C)CC(C)O)c1.
What is the InChIKey of 1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea?
The InChIKey is NGMSEXAYCUTQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-4-6-13(8-10)16-14(18)15-9-11(2)7-12(3)17/h4-6,8,11-12,17H,7,9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea?
1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea has a molecular weight of 250.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 111444676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).