1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea

C19H24N2O3 — CID 111478718

IUPAC1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-24-18-10-6-5-9-16(18)11-13-20-19(23)21-14-12-17(22)15-7-3-2-4-8-15/h2-10,17,22H,11-14H2,1H3,(H2,20,21,23)
InChIKeyUBPXTBXPAHJLTC-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.66
Rot. Bonds8

About 1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea

1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 111478718) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID111478718
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-24-18-10-6-5-9-16(18)11-13-20-19(23)21-14-12-17(22)15-7-3-2-4-8-15/h2-10,17,22H,11-14H2,1H3,(H2,20,21,23)
InChIKeyUBPXTBXPAHJLTC-UHFFFAOYSA-N
XLogP2.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 36511989
1-[2-(diethylamino)-2-phenylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110622015
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185
(2S)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
CID 106261999
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea (CID 111478718) is 1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1CCNC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is UBPXTBXPAHJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-24-18-10-6-5-9-16(18)11-13-20-19(23)21-14-12-17(22)15-7-3-2-4-8-15/h2-10,17,22H,11-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 328.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 111478718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).