1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea

C19H24N2O2 — CID 110894923

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
SMILESCCN(CCO)C(=O)NC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-21(13-14-22)19(23)20-15(2)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,22H,3,13-14H2,1-2H3,(H,20,23)
InChIKeyBPDDRUXEKSYYOJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.44
Rot. Bonds6

About 1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea

1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea (PubChem CID 110894923) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
PubChem CID110894923
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
SMILESCCN(CCO)C(=O)NC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-21(13-14-22)19(23)20-15(2)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,22H,3,13-14H2,1-2H3,(H,20,23)
InChIKeyBPDDRUXEKSYYOJ-UHFFFAOYSA-N
XLogP3.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea
CID 112831836
3-[1-(3-chloro-4-fluorophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110904151
3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110894919
3-[ethyl-[1-(4-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851777
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea
CID 125443345
3-[ethyl-[1-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853029
3-[1-(4-chlorophenyl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62853388
4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide
CID 126438407
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
1-butyl-3-[1-(4-cyanophenyl)ethyl]-1-(2-hydroxyethyl)urea
CID 110896568

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea (CID 110894923) is 1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea is CCN(CCO)C(=O)NC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea?
The InChIKey is BPDDRUXEKSYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-21(13-14-22)19(23)20-15(2)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,22H,3,13-14H2,1-2H3,(H,20,23).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea has a molecular weight of 312.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea is sourced from PubChem (CID 110894923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).