1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea

C12H16N4O — CID 173296803

IUPAC1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea
SMILES[H]/N=C/C=C(N)c1ccc(NC(=O)NCC)cc1
InChIInChI=1S/C12H16N4O/c1-2-15-12(17)16-10-5-3-9(4-6-10)11(14)7-8-13/h3-8,13H,2,14H2,1H3,(H2,15,16,17)/b11-7?,13-8+
InChIKeyGZPNZODOYUUPNW-HQGKJDKDSA-N
MW232.29 g/mol
LogP1.78
Rot. Bonds4

About 1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea

1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea (PubChem CID 173296803) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea
PubChem CID173296803
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea
SMILES[H]/N=C/C=C(N)c1ccc(NC(=O)NCC)cc1
InChIInChI=1S/C12H16N4O/c1-2-15-12(17)16-10-5-3-9(4-6-10)11(14)7-8-13/h3-8,13H,2,14H2,1H3,(H2,15,16,17)/b11-7?,13-8+
InChIKeyGZPNZODOYUUPNW-HQGKJDKDSA-N
XLogP1.78
TPSA91.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-ethyl-3-[4-[4-(ethylcarbamoylamino)phenyl]sulfanylphenyl]urea
CID 27276347
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
1-(3-amino-5-fluorophenyl)-3-ethylurea
CID 107334332
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea
CID 82685806
1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid
CID 172894620
1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557953
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea?
The IUPAC name of 1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea (CID 173296803) is 1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea.
What is the SMILES notation for 1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea?
The canonical SMILES for 1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea is [H]/N=C/C=C(N)c1ccc(NC(=O)NCC)cc1.
What is the InChIKey of 1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea?
The InChIKey is GZPNZODOYUUPNW-HQGKJDKDSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-15-12(17)16-10-5-3-9(4-6-10)11(14)7-8-13/h3-8,13H,2,14H2,1H3,(H2,15,16,17)/b11-7?,13-8+.
What are the key properties of 1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea?
1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea has a molecular weight of 232.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea is sourced from PubChem (CID 173296803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).