1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea

C16H18N6O2 — CID 174853943

IUPAC1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea
SMILESNC(=O)N(N)c1ccc(C=Cc2ccc(N(N)C(N)=O)cc2)cc1
InChIInChI=1S/C16H18N6O2/c17-15(23)21(19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22(20)16(18)24/h1-10H,19-20H2,(H2,17,23)(H2,18,24)
InChIKeyXTRCDQWYYUUSQX-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.37
Rot. Bonds4

About 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea

1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea (PubChem CID 174853943) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea.

Molecular Properties

Compound Name1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea
PubChem CID174853943
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea
SMILESNC(=O)N(N)c1ccc(C=Cc2ccc(N(N)C(N)=O)cc2)cc1
InChIInChI=1S/C16H18N6O2/c17-15(23)21(19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22(20)16(18)24/h1-10H,19-20H2,(H2,17,23)(H2,18,24)
InChIKeyXTRCDQWYYUUSQX-UHFFFAOYSA-N
XLogP1.37
TPSA144.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea 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-(4-formylphenyl)-1-phenylurea
CID 57262410
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 6366857
1-amino-1-[3-[amino(carbamoyl)amino]-4-(aminomethyl)phenyl]urea
CID 174424955
sodium 2,4-bis[amino(carbamoyl)amino]benzoate
CID 174464352
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde
CID 85434462
N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide
CID 125464018
6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide
CID 175885457
(E)-N-amino-3-[4-[amino-[amino-(3,4-dimethoxyphenyl)carbamoyl]amino]phenyl]-N-nitrosoprop-2-enamide
CID 89335439
1-amino-1-[5-[amino(carbamoyl)amino]-1-hydroxypyrrol-2-yl]urea
CID 174546111
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea?
The IUPAC name of 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea (CID 174853943) is 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea.
What is the SMILES notation for 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea?
The canonical SMILES for 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea is NC(=O)N(N)c1ccc(C=Cc2ccc(N(N)C(N)=O)cc2)cc1.
What is the InChIKey of 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea?
The InChIKey is XTRCDQWYYUUSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c17-15(23)21(19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22(20)16(18)24/h1-10H,19-20H2,(H2,17,23)(H2,18,24).
What are the key properties of 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea?
1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea has a molecular weight of 326.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[4-[2-[4-[amino(carbamoyl)amino]phenyl]ethenyl]phenyl]urea is sourced from PubChem (CID 174853943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).