1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea

C16H26N2O2 — CID 111455573

IUPAC1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NCC(C)CC(C)O)cc1
InChIInChI=1S/C16H26N2O2/c1-12-4-6-15(7-5-12)8-9-17-16(20)18-11-13(2)10-14(3)19/h4-7,13-14,19H,8-11H2,1-3H3,(H2,17,18,20)
InChIKeyFNYLVKYWBUVCGR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.24
Rot. Bonds7

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

1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 111455573) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID111455573
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NCC(C)CC(C)O)cc1
InChIInChI=1S/C16H26N2O2/c1-12-4-6-15(7-5-12)8-9-17-16(20)18-11-13(2)10-14(3)19/h4-7,13-14,19H,8-11H2,1-3H3,(H2,17,18,20)
InChIKeyFNYLVKYWBUVCGR-UHFFFAOYSA-N
XLogP2.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 111453932
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea
CID 145230156
1-(4-hydroxy-2-methylpentyl)-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111453418
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454636
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-(4-hydroxy-2-methylpentyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111454154
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
1-(4-hydroxy-2-methylpentyl)-3-(4-methylpentyl)urea
CID 111454397

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea (CID 111455573) is 1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)NCC(C)CC(C)O)cc1.
What is the InChIKey of 1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is FNYLVKYWBUVCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-4-6-15(7-5-12)8-9-17-16(20)18-11-13(2)10-14(3)19/h4-7,13-14,19H,8-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea?
1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 278.40 g/mol, XLogP of 2.24, 7 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-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 111455573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).