1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

C24H26N2O3 — CID 41327613

IUPAC1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-28-21-14-13-18(17-22(21)29-2)15-16-25-24(27)26-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,23H,15-16H2,1-2H3,(H2,25,26,27)
InChIKeyFDVXZCJHAOJPPO-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.34
Rot. Bonds8

About 1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 41327613) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID41327613
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-28-21-14-13-18(17-22(21)29-2)15-16-25-24(27)26-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,23H,15-16H2,1-2H3,(H2,25,26,27)
InChIKeyFDVXZCJHAOJPPO-UHFFFAOYSA-N
XLogP4.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 4679001
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42924612
1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 41328052
2-(benzylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 55543538
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl] methanesulfonate
CID 54530305
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
(2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylacetic acid
CID 57178217
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 25489004
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CID 41327613) is 1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of 1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is FDVXZCJHAOJPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-21-14-13-18(17-22(21)29-2)15-16-25-24(27)26-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,23H,15-16H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 390.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 41327613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).