1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea

C16H26N2O3 — CID 111453401

IUPAC1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea
SMILESCOC(C)c1cccc(NC(=O)NCC(C)CC(C)O)c1
InChIInChI=1S/C16H26N2O3/c1-11(8-12(2)19)10-17-16(20)18-15-7-5-6-14(9-15)13(3)21-4/h5-7,9,11-13,19H,8,10H2,1-4H3,(H2,17,18,20)
InChIKeyRIWKFZNCOXAALL-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.92
Rot. Bonds7

About 1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea

1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea (PubChem CID 111453401) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea
PubChem CID111453401
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea
SMILESCOC(C)c1cccc(NC(=O)NCC(C)CC(C)O)c1
InChIInChI=1S/C16H26N2O3/c1-11(8-12(2)19)10-17-16(20)18-15-7-5-6-14(9-15)13(3)21-4/h5-7,9,11-13,19H,8,10H2,1-4H3,(H2,17,18,20)
InChIKeyRIWKFZNCOXAALL-UHFFFAOYSA-N
XLogP2.92
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethyl)phenyl]-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95981533
1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
CID 111444676
1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 111431597
1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95635554
1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452989
1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477535
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 71914833
1-[3-(1-methoxyethyl)phenyl]-3-[(4-methylsulfinylphenyl)methyl]urea
CID 71860771
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452821
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
1-[3-(1-methoxyethyl)phenyl]-3-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]urea
CID 102559364

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea?
The IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea (CID 111453401) is 1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea is COC(C)c1cccc(NC(=O)NCC(C)CC(C)O)c1.
What is the InChIKey of 1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea?
The InChIKey is RIWKFZNCOXAALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(8-12(2)19)10-17-16(20)18-15-7-5-6-14(9-15)13(3)21-4/h5-7,9,11-13,19H,8,10H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea?
1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea has a molecular weight of 294.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea is sourced from PubChem (CID 111453401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).