2-cyano-N-(3-phenylpropylideneamino)acetamide

C12H13N3O — CID 5104820

IUPAC2-cyano-N-(3-phenylpropylideneamino)acetamide
SMILESN#CCC(=O)NN=CCCc1ccccc1
InChIInChI=1S/C12H13N3O/c13-9-8-12(16)15-14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-8H2,(H,15,16)
InChIKeyCEQUIFMFTCDPQS-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.63
Rot. Bonds5

About 2-cyano-N-(3-phenylpropylideneamino)acetamide

2-cyano-N-(3-phenylpropylideneamino)acetamide (PubChem CID 5104820) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-cyano-N-(3-phenylpropylideneamino)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-phenylpropylideneamino)acetamide
PubChem CID5104820
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-cyano-N-(3-phenylpropylideneamino)acetamide
SMILESN#CCC(=O)NN=CCCc1ccccc1
InChIInChI=1S/C12H13N3O/c13-9-8-12(16)15-14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-8H2,(H,15,16)
InChIKeyCEQUIFMFTCDPQS-UHFFFAOYSA-N
XLogP1.63
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropylideneamino)dodecanamide
CID 3728089
N'-(3-phenylpropylideneamino)oxamide
CID 4674915
2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide
CID 5127526
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481
2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide
CID 4922169
N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 6231205
1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea
CID 6231259
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-phenylpropylideneamino)acetamide?
The IUPAC name of 2-cyano-N-(3-phenylpropylideneamino)acetamide (CID 5104820) is 2-cyano-N-(3-phenylpropylideneamino)acetamide.
What is the SMILES notation for 2-cyano-N-(3-phenylpropylideneamino)acetamide?
The canonical SMILES for 2-cyano-N-(3-phenylpropylideneamino)acetamide is N#CCC(=O)NN=CCCc1ccccc1.
What is the InChIKey of 2-cyano-N-(3-phenylpropylideneamino)acetamide?
The InChIKey is CEQUIFMFTCDPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-9-8-12(16)15-14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-8H2,(H,15,16).
What are the key properties of 2-cyano-N-(3-phenylpropylideneamino)acetamide?
2-cyano-N-(3-phenylpropylideneamino)acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-phenylpropylideneamino)acetamide is sourced from PubChem (CID 5104820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).