1,1-diaminourea;1-phenylethylbenzene

C15H20N4O — CID 174865335

IUPAC1,1-diaminourea;1-phenylethylbenzene
SMILESCC(c1ccccc1)c1ccccc1.NC(=O)N(N)N
InChIInChI=1S/C14H14.CH6N4O/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;2-1(6)5(3)4/h2-12H,1H3;3-4H2,(H2,2,6)
InChIKeyBKRMPXJIHINIDN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.95
Rot. Bonds2

About 1,1-diaminourea;1-phenylethylbenzene

1,1-diaminourea;1-phenylethylbenzene (PubChem CID 174865335) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1,1-diaminourea;1-phenylethylbenzene.

Molecular Properties

Compound Name1,1-diaminourea;1-phenylethylbenzene
PubChem CID174865335
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1,1-diaminourea;1-phenylethylbenzene
SMILESCC(c1ccccc1)c1ccccc1.NC(=O)N(N)N
InChIInChI=1S/C14H14.CH6N4O/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;2-1(6)5(3)4/h2-12H,1H3;3-4H2,(H2,2,6)
InChIKeyBKRMPXJIHINIDN-UHFFFAOYSA-N
XLogP1.95
TPSA98.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze 1,1-diaminourea;1-phenylethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
ethane;methane;1-phenylethylbenzene
CID 143105414
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
2-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68956962
ethanamine;1-phenylethylbenzene
CID 19985218
bis(carbamothioic S-acid);cumene
CID 87644989
amino(benzhydryl)carbamic acid
CID 135383570
(4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone
CID 19939681

Frequently Asked Questions

What is the IUPAC name of 1,1-diaminourea;1-phenylethylbenzene?
The IUPAC name of 1,1-diaminourea;1-phenylethylbenzene (CID 174865335) is 1,1-diaminourea;1-phenylethylbenzene.
What is the SMILES notation for 1,1-diaminourea;1-phenylethylbenzene?
The canonical SMILES for 1,1-diaminourea;1-phenylethylbenzene is CC(c1ccccc1)c1ccccc1.NC(=O)N(N)N.
What is the InChIKey of 1,1-diaminourea;1-phenylethylbenzene?
The InChIKey is BKRMPXJIHINIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.CH6N4O/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;2-1(6)5(3)4/h2-12H,1H3;3-4H2,(H2,2,6).
What are the key properties of 1,1-diaminourea;1-phenylethylbenzene?
1,1-diaminourea;1-phenylethylbenzene has a molecular weight of 272.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diaminourea;1-phenylethylbenzene is sourced from PubChem (CID 174865335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).