1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea

C16H26N2O3 — CID 111505801

IUPAC1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea
SMILESCOCC(NC(=O)NCCC(O)C(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O3/c1-12(2)15(19)9-10-17-16(20)18-14(11-21-3)13-7-5-4-6-8-13/h4-8,12,14-15,19H,9-11H2,1-3H3,(H2,17,18,20)
InChIKeyQIMXHLCCWUDFHM-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.08
Rot. Bonds8

About 1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea

1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea (PubChem CID 111505801) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea
PubChem CID111505801
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea
SMILESCOCC(NC(=O)NCCC(O)C(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O3/c1-12(2)15(19)9-10-17-16(20)18-14(11-21-3)13-7-5-4-6-8-13/h4-8,12,14-15,19H,9-11H2,1-3H3,(H2,17,18,20)
InChIKeyQIMXHLCCWUDFHM-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111338426
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111566530
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methoxy-1-phenylethyl)urea
CID 111618774
1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea
CID 111506608
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea
CID 111455158
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748
3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111505163
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
CID 111461297
1-(3-methyl-1-phenylbutyl)-3-propylurea
CID 133230839

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea (CID 111505801) is 1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea is COCC(NC(=O)NCCC(O)C(C)C)c1ccccc1.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea?
The InChIKey is QIMXHLCCWUDFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)15(19)9-10-17-16(20)18-14(11-21-3)13-7-5-4-6-8-13/h4-8,12,14-15,19H,9-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea?
1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea has a molecular weight of 294.39 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea is sourced from PubChem (CID 111505801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).