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

C17H28N2O3 — CID 111337836

IUPAC1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)NCC(O)C(C)CC)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O3/c1-5-12(3)16(20)11-18-17(21)19-15(6-2)13-7-9-14(22-4)10-8-13/h7-10,12,15-16,20H,5-6,11H2,1-4H3,(H2,18,19,21)
InChIKeyNOQAWQZECAVHEV-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.85
Rot. Bonds8

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

1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea (PubChem CID 111337836) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
PubChem CID111337836
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)NCC(O)C(C)CC)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O3/c1-5-12(3)16(20)11-18-17(21)19-15(6-2)13-7-9-14(22-4)10-8-13/h7-10,12,15-16,20H,5-6,11H2,1-4H3,(H2,18,19,21)
InChIKeyNOQAWQZECAVHEV-UHFFFAOYSA-N
XLogP2.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide
CID 87000051
1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
CID 111338206
1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
CID 100748636
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042604
1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111335702
2-ethoxy-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 60657142
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea (CID 111337836) is 1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea is CCC(NC(=O)NCC(O)C(C)CC)c1ccc(OC)cc1.
What is the InChIKey of 1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The InChIKey is NOQAWQZECAVHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-12(3)16(20)11-18-17(21)19-15(6-2)13-7-9-14(22-4)10-8-13/h7-10,12,15-16,20H,5-6,11H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea?
1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea has a molecular weight of 308.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea is sourced from PubChem (CID 111337836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).