1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea

C14H22N2O3 — CID 173326019

IUPAC1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)N(CCO)CCO)c1ccccc1
InChIInChI=1S/C14H22N2O3/c1-2-13(12-6-4-3-5-7-12)15-14(19)16(8-10-17)9-11-18/h3-7,13,17-18H,2,8-11H2,1H3,(H,15,19)
InChIKeyXOVMVUHYJDXJKV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.13
Rot. Bonds7

About 1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea

1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea (PubChem CID 173326019) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
PubChem CID173326019
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)N(CCO)CCO)c1ccccc1
InChIInChI=1S/C14H22N2O3/c1-2-13(12-6-4-3-5-7-12)15-14(19)16(8-10-17)9-11-18/h3-7,13,17-18H,2,8-11H2,1H3,(H,15,19)
InChIKeyXOVMVUHYJDXJKV-UHFFFAOYSA-N
XLogP1.13
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea
CID 110882611
3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110882607
3-benzhydryl-1,1-bis(2-hydroxyethyl)urea
CID 108867415
1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103837096
3-[ethyl(1-phenylpropylcarbamoyl)amino]-2-methylpropanoic acid
CID 62854117
3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110896607
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide
CID 62304180
3-benzhydryl-1,1-dibutylurea
CID 108867480
1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 110894923
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea (CID 173326019) is 1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea is CCC(NC(=O)N(CCO)CCO)c1ccccc1.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea?
The InChIKey is XOVMVUHYJDXJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-13(12-6-4-3-5-7-12)15-14(19)16(8-10-17)9-11-18/h3-7,13,17-18H,2,8-11H2,1H3,(H,15,19).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea?
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea is sourced from PubChem (CID 173326019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).