1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea

C12H18N4O — CID 143866933

IUPAC1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea
SMILESCN(C)C(=O)N(N)/C(=C\N)Cc1ccccc1
InChIInChI=1S/C12H18N4O/c1-15(2)12(17)16(14)11(9-13)8-10-6-4-3-5-7-10/h3-7,9H,8,13-14H2,1-2H3/b11-9-
InChIKeyKDXVYMBFBGTOTK-LUAWRHEFSA-N
MW234.30 g/mol
LogP0.89
Rot. Bonds3

About 1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea

1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea (PubChem CID 143866933) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea
PubChem CID143866933
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea
SMILESCN(C)C(=O)N(N)/C(=C\N)Cc1ccccc1
InChIInChI=1S/C12H18N4O/c1-15(2)12(17)16(14)11(9-13)8-10-6-4-3-5-7-10/h3-7,9H,8,13-14H2,1-2H3/b11-9-
InChIKeyKDXVYMBFBGTOTK-LUAWRHEFSA-N
XLogP0.89
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea
CID 143866928
2-benzyl-N,N-dimethylprop-2-enamide
CID 67100318
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
4-[amino-(2-phenylacetyl)amino]-4-oxobut-2-enoic acid
CID 154349282
lithium 2-phenylacetate
CID 19205773
benzene;1-phenylpropan-2-one
CID 21430852
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
N,N-dimethyl-3-phenyl-2-sulfinylpropanamide
CID 88538273
benzyl N,N-dimethylcarbamate
CID 12963450
1,3-diphenyl(213C)propan-2-one
CID 100945080
N'-acetyl-N,N'-dimethyl-2-phenylacetohydrazide
CID 15121331

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea?
The IUPAC name of 1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea (CID 143866933) is 1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea.
What is the SMILES notation for 1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea?
The canonical SMILES for 1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea is CN(C)C(=O)N(N)/C(=C\N)Cc1ccccc1.
What is the InChIKey of 1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea?
The InChIKey is KDXVYMBFBGTOTK-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15(2)12(17)16(14)11(9-13)8-10-6-4-3-5-7-10/h3-7,9H,8,13-14H2,1-2H3/b11-9-.
What are the key properties of 1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea?
1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea has a molecular weight of 234.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea is sourced from PubChem (CID 143866933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).