N-ethyl-2,3-diimino-N-phenylpropanamide

C11H13N3O — CID 142506418

IUPACN-ethyl-2,3-diimino-N-phenylpropanamide
SMILES[H]/N=C/C(=N\[H])C(=O)N(CC)c1ccccc1
InChIInChI=1S/C11H13N3O/c1-2-14(11(15)10(13)8-12)9-6-4-3-5-7-9/h3-8,12-13H,2H2,1H3/b12-8+,13-10+
InChIKeyDUOOFZCDIDLPMA-SDCOAONHSA-N
MW203.25 g/mol
LogP1.71
Rot. Bonds4

About N-ethyl-2,3-diimino-N-phenylpropanamide

N-ethyl-2,3-diimino-N-phenylpropanamide (PubChem CID 142506418) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-ethyl-2,3-diimino-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2,3-diimino-N-phenylpropanamide
PubChem CID142506418
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-ethyl-2,3-diimino-N-phenylpropanamide
SMILES[H]/N=C/C(=N\[H])C(=O)N(CC)c1ccccc1
InChIInChI=1S/C11H13N3O/c1-2-14(11(15)10(13)8-12)9-6-4-3-5-7-9/h3-8,12-13H,2H2,1H3/b12-8+,13-10+
InChIKeyDUOOFZCDIDLPMA-SDCOAONHSA-N
XLogP1.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
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-imino-1-phenylurea
CID 70142844
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-N-phenyl-N',N'-bis(prop-2-enyl)oxamide
CID 108516722
1-(3-amino-3-iminopropyl)-3,3-diethyl-1-phenylurea
CID 79161303
ethyl 4-(N-ethyl-N-phenylcarbamimidoyl)benzoate
CID 142670505
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
1,3-diethyl-1,3-diphenylselenourea
CID 134917239
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide
CID 174953014
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-phenyloxamide
CID 108986912

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-diimino-N-phenylpropanamide?
The IUPAC name of N-ethyl-2,3-diimino-N-phenylpropanamide (CID 142506418) is N-ethyl-2,3-diimino-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-2,3-diimino-N-phenylpropanamide?
The canonical SMILES for N-ethyl-2,3-diimino-N-phenylpropanamide is [H]/N=C/C(=N\[H])C(=O)N(CC)c1ccccc1.
What is the InChIKey of N-ethyl-2,3-diimino-N-phenylpropanamide?
The InChIKey is DUOOFZCDIDLPMA-SDCOAONHSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-14(11(15)10(13)8-12)9-6-4-3-5-7-9/h3-8,12-13H,2H2,1H3/b12-8+,13-10+.
What are the key properties of N-ethyl-2,3-diimino-N-phenylpropanamide?
N-ethyl-2,3-diimino-N-phenylpropanamide has a molecular weight of 203.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-diimino-N-phenylpropanamide is sourced from PubChem (CID 142506418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).