1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea

C16H26N2O2 — CID 111506740

IUPAC1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
SMILESCCc1ccccc1CNC(=O)NCCC(O)C(C)C
InChIInChI=1S/C16H26N2O2/c1-4-13-7-5-6-8-14(13)11-18-16(20)17-10-9-15(19)12(2)3/h5-8,12,15,19H,4,9-11H2,1-3H3,(H2,17,18,20)
InChIKeyJJLYZYURTKUNKT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.46
Rot. Bonds7

About 1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea

1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea (PubChem CID 111506740) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
PubChem CID111506740
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
SMILESCCc1ccccc1CNC(=O)NCCC(O)C(C)C
InChIInChI=1S/C16H26N2O2/c1-4-13-7-5-6-8-14(13)11-18-16(20)17-10-9-15(19)12(2)3/h5-8,12,15,19H,4,9-11H2,1-3H3,(H2,17,18,20)
InChIKeyJJLYZYURTKUNKT-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 111662196
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
2-(2-acetamidophenyl)-N-[(3R)-3-hydroxy-4-methylpentyl]acetamide
CID 124889974
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
CID 64693284
1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111505163
ethane;1-[(2-ethylphenyl)methyl]-3-methylurea
CID 142017164
1-(3-hydroxy-4-methylpentyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 111504474
1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111503815
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea
CID 166381064

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea (CID 111506740) is 1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea is CCc1ccccc1CNC(=O)NCCC(O)C(C)C.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea?
The InChIKey is JJLYZYURTKUNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-13-7-5-6-8-14(13)11-18-16(20)17-10-9-15(19)12(2)3/h5-8,12,15,19H,4,9-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea?
1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111506740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).