N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide

C21H26N2O — CID 54785044

IUPACN-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide
SMILESCCCC/C(CC)=N/NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-3-5-16-19(4-2)22-23-21(24)20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,20H,3-5,16H2,1-2H3,(H,23,24)/b22-19+
InChIKeyYGMMZKRQGXGKBP-ZBJSNUHESA-N
MW322.45 g/mol
LogP4.89
Rot. Bonds8

About N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide

N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide (PubChem CID 54785044) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide
PubChem CID54785044
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide
SMILESCCCC/C(CC)=N/NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-3-5-16-19(4-2)22-23-21(24)20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,20H,3-5,16H2,1-2H3,(H,23,24)/b22-19+
InChIKeyYGMMZKRQGXGKBP-ZBJSNUHESA-N
XLogP4.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide
CID 3532425
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2,2-diphenylacetamide
CID 136831660
N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide
CID 54784974
N-dodecyl-2,2-diphenylacetamide
CID 5143289
1,1-diphenylheptane-2,3-dione
CID 91366736
2,2-diphenyl-N-[(Z)-propylideneamino]acetamide
CID 6119099
ethyl 3-[(2,2-diphenylacetyl)hydrazinylidene]butanoate
CID 5235371
N-[(E)-heptan-3-ylideneamino]-4-phenylmethoxybenzamide
CID 54784967
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
9H-fluoren-9-ylmethyl N-[(Z)-heptan-3-ylideneamino]carbamate
CID 59032300
N-[(Z)-1-naphthalen-1-ylethylideneamino]-2,2-diphenylacetamide
CID 126396854
2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide
CID 54785064

Frequently Asked Questions

What is the IUPAC name of N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide (CID 54785044) is N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide is CCCC/C(CC)=N/NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide?
The InChIKey is YGMMZKRQGXGKBP-ZBJSNUHESA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-5-16-19(4-2)22-23-21(24)20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,20H,3-5,16H2,1-2H3,(H,23,24)/b22-19+.
What are the key properties of N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide?
N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide has a molecular weight of 322.45 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 54785044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).