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

C16H26N2O3 — CID 111454390

IUPAC1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccccc1CNC(=O)NCC(C)CC(C)O
InChIInChI=1S/C16H26N2O3/c1-12(8-13(2)19)9-17-16(20)18-10-14-6-4-5-7-15(14)11-21-3/h4-7,12-13,19H,8-11H2,1-3H3,(H2,17,18,20)
InChIKeyQOVLTIRTYSNWRF-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.04
Rot. Bonds8

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

1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea (PubChem CID 111454390) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
PubChem CID111454390
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccccc1CNC(=O)NCC(C)CC(C)O
InChIInChI=1S/C16H26N2O3/c1-12(8-13(2)19)9-17-16(20)18-10-14-6-4-5-7-15(14)11-21-3/h4-7,12-13,19H,8-11H2,1-3H3,(H2,17,18,20)
InChIKeyQOVLTIRTYSNWRF-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
1-[(2S)-3-ethyl-2-pyrrolidin-1-ylpentyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 95637979
2-[2-[(2-methylbutylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317582
1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110910121
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 96548923
1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 117235456

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea (CID 111454390) is 1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea is COCc1ccccc1CNC(=O)NCC(C)CC(C)O.
What is the InChIKey of 1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is QOVLTIRTYSNWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(8-13(2)19)9-17-16(20)18-10-14-6-4-5-7-15(14)11-21-3/h4-7,12-13,19H,8-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 294.39 g/mol, XLogP of 2.04, 8 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-[[2-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 111454390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).