1-benzhydryl-3-(2-methoxyethyl)urea

C17H20N2O2 — CID 108867401

IUPAC1-benzhydryl-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-21-13-12-18-17(20)19-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H2,18,19,20)
InChIKeySZPUJBKLLCTWRX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.72
Rot. Bonds6

About 1-benzhydryl-3-(2-methoxyethyl)urea

1-benzhydryl-3-(2-methoxyethyl)urea (PubChem CID 108867401) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-methoxyethyl)urea
PubChem CID108867401
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-benzhydryl-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-21-13-12-18-17(20)19-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H2,18,19,20)
InChIKeySZPUJBKLLCTWRX-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 41328052
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
1-benzhydryl-3-octadecylurea
CID 142646590
1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea
CID 8696634
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
CID 133230842
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
1-benzhydryl-3-prop-2-ynylurea
CID 41304336
1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea
CID 95772665
3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
CID 115649428

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-methoxyethyl)urea?
The IUPAC name of 1-benzhydryl-3-(2-methoxyethyl)urea (CID 108867401) is 1-benzhydryl-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-methoxyethyl)urea is COCCNC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-methoxyethyl)urea?
The InChIKey is SZPUJBKLLCTWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-13-12-18-17(20)19-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H2,18,19,20).
What are the key properties of 1-benzhydryl-3-(2-methoxyethyl)urea?
1-benzhydryl-3-(2-methoxyethyl)urea has a molecular weight of 284.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-methoxyethyl)urea is sourced from PubChem (CID 108867401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).