3-amino-1-benzhydryl-1-methylurea

C15H17N3O — CID 118713292

IUPAC3-amino-1-benzhydryl-1-methylurea
SMILESCN(C(=O)NN)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-18(15(19)17-16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,16H2,1H3,(H,17,19)
InChIKeyDGEZBFKPRHAKCX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.29
Rot. Bonds3

About 3-amino-1-benzhydryl-1-methylurea

3-amino-1-benzhydryl-1-methylurea (PubChem CID 118713292) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-1-benzhydryl-1-methylurea.

Molecular Properties

Compound Name3-amino-1-benzhydryl-1-methylurea
PubChem CID118713292
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-amino-1-benzhydryl-1-methylurea
SMILESCN(C(=O)NN)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-18(15(19)17-16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,16H2,1H3,(H,17,19)
InChIKeyDGEZBFKPRHAKCX-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(Diphenylmethyl)urea
CID 95253
N-[(2-methylphenyl)(phenyl)methyl]urea
CID 2849790
N-[(4-methylphenyl)(phenyl)methyl]urea
CID 2850258
1-[(1S)-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 94519439
1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea
CID 127044926
1,2-Diphenylethylurea
CID 2853470
1-Cyclohexyl-3-(1-phenylethyl)urea
CID 2930832
1-cyclohexyl-3-[(1S)-1-phenylethyl]urea
CID 840472
1,3-Bis(alpha-methylbenzyl)urea
CID 3291438
N-benzyl-N'-cyclohexyl-N-methylurea
CID 306664
1-Cyclohexyl-3-(1-phenylpropyl)urea
CID 6467735
[(2-Fluorophenyl)-phenylmethyl]urea
CID 2852712

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzhydryl-1-methylurea?
The IUPAC name of 3-amino-1-benzhydryl-1-methylurea (CID 118713292) is 3-amino-1-benzhydryl-1-methylurea.
What is the SMILES notation for 3-amino-1-benzhydryl-1-methylurea?
The canonical SMILES for 3-amino-1-benzhydryl-1-methylurea is CN(C(=O)NN)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-1-benzhydryl-1-methylurea?
The InChIKey is DGEZBFKPRHAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(15(19)17-16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-1-benzhydryl-1-methylurea?
3-amino-1-benzhydryl-1-methylurea has a molecular weight of 255.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzhydryl-1-methylurea is sourced from PubChem (CID 118713292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).