N-(3-phenylpropylideneamino)dodecanamide

C21H34N2O — CID 3728089

IUPACN-(3-phenylpropylideneamino)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=CCCc1ccccc1
InChIInChI=1S/C21H34N2O/c1-2-3-4-5-6-7-8-9-13-18-21(24)23-22-19-14-17-20-15-11-10-12-16-20/h10-12,15-16,19H,2-9,13-14,17-18H2,1H3,(H,23,24)
InChIKeyQMKQHGOCTKATQM-UHFFFAOYSA-N
MW330.52 g/mol
LogP5.64
Rot. Bonds14

About N-(3-phenylpropylideneamino)dodecanamide

N-(3-phenylpropylideneamino)dodecanamide (PubChem CID 3728089) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(3-phenylpropylideneamino)dodecanamide.

Molecular Properties

Compound NameN-(3-phenylpropylideneamino)dodecanamide
PubChem CID3728089
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-(3-phenylpropylideneamino)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=CCCc1ccccc1
InChIInChI=1S/C21H34N2O/c1-2-3-4-5-6-7-8-9-13-18-21(24)23-22-19-14-17-20-15-11-10-12-16-20/h10-12,15-16,19H,2-9,13-14,17-18H2,1H3,(H,23,24)
InChIKeyQMKQHGOCTKATQM-UHFFFAOYSA-N
XLogP5.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethylideneamino)nonanamide
CID 3280851
N-(nonylideneamino)octanamide
CID 4295690
N-(nonylideneamino)decanamide
CID 5084396
N-(butylideneamino)heptanamide
CID 4641242
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N-[(E)-2-phenylethylideneamino]butanamide
CID 17340082
2-cyano-N-(3-phenylpropylideneamino)acetamide
CID 5104820

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropylideneamino)dodecanamide?
The IUPAC name of N-(3-phenylpropylideneamino)dodecanamide (CID 3728089) is N-(3-phenylpropylideneamino)dodecanamide.
What is the SMILES notation for N-(3-phenylpropylideneamino)dodecanamide?
The canonical SMILES for N-(3-phenylpropylideneamino)dodecanamide is CCCCCCCCCCCC(=O)NN=CCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropylideneamino)dodecanamide?
The InChIKey is QMKQHGOCTKATQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-2-3-4-5-6-7-8-9-13-18-21(24)23-22-19-14-17-20-15-11-10-12-16-20/h10-12,15-16,19H,2-9,13-14,17-18H2,1H3,(H,23,24).
What are the key properties of N-(3-phenylpropylideneamino)dodecanamide?
N-(3-phenylpropylideneamino)dodecanamide has a molecular weight of 330.52 g/mol, XLogP of 5.64, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropylideneamino)dodecanamide is sourced from PubChem (CID 3728089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).