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

C16H26N2O3 — CID 111115159

IUPAC1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
SMILESCOc1cccc(C(O)CNC(=O)NCCCC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)6-5-9-17-16(20)18-11-15(19)13-7-4-8-14(10-13)21-3/h4,7-8,10,12,15,19H,5-6,9,11H2,1-3H3,(H2,17,18,20)
InChIKeyFCQXUWUPHYNVQN-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.46
Rot. Bonds8

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

1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea (PubChem CID 111115159) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
PubChem CID111115159
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
SMILESCOc1cccc(C(O)CNC(=O)NCCCC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)6-5-9-17-16(20)18-11-15(19)13-7-4-8-14(10-13)21-3/h4,7-8,10,12,15,19H,5-6,9,11H2,1-3H3,(H2,17,18,20)
InChIKeyFCQXUWUPHYNVQN-UHFFFAOYSA-N
XLogP2.46
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 111483054
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111115210
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115244
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116760

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea (CID 111115159) is 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea is COc1cccc(C(O)CNC(=O)NCCCC(C)C)c1.
What is the InChIKey of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea?
The InChIKey is FCQXUWUPHYNVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)6-5-9-17-16(20)18-11-15(19)13-7-4-8-14(10-13)21-3/h4,7-8,10,12,15,19H,5-6,9,11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea?
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea has a molecular weight of 294.39 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea is sourced from PubChem (CID 111115159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).