1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea

C24H26N2O2 — CID 35629147

IUPAC1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea
SMILESCCOCc1ccccc1CNC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-2-28-18-22-16-10-9-15-21(22)17-25-24(27)26-23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,23H,2,17-18H2,1H3,(H2,25,26,27)
InChIKeyNPBNSDRNVQFUMX-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.81
Rot. Bonds8

About 1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea

1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea (PubChem CID 35629147) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea
PubChem CID35629147
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea
SMILESCCOCc1ccccc1CNC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-2-28-18-22-16-10-9-15-21(22)17-25-24(27)26-23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,23H,2,17-18H2,1H3,(H2,25,26,27)
InChIKeyNPBNSDRNVQFUMX-UHFFFAOYSA-N
XLogP4.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylpropanamide
CID 119718321
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
2-(diethylamino)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 56540663
1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea
CID 42954660
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
CID 81311152
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454388
4-[[2-(ethoxymethyl)phenyl]methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991453
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea (CID 35629147) is 1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea is CCOCc1ccccc1CNC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea?
The InChIKey is NPBNSDRNVQFUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-2-28-18-22-16-10-9-15-21(22)17-25-24(27)26-23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,23H,2,17-18H2,1H3,(H2,25,26,27).
What are the key properties of 1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea?
1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea has a molecular weight of 374.48 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 35629147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).