N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide

C27H31N3O2 — CID 4245572

IUPACN-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide
SMILESCCCCCCCC(=O)Nc1ccc(C(=O)NN=C(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H31N3O2/c1-3-4-5-6-7-15-26(31)28-23-18-16-22(17-19-23)27(32)30-29-20(2)24-14-10-12-21-11-8-9-13-25(21)24/h8-14,16-19H,3-7,15H2,1-2H3,(H,28,31)(H,30,32)
InChIKeyKYDDBVOFTFSESQ-UHFFFAOYSA-N
MW429.56 g/mol
LogP6.29
Rot. Bonds10

About N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide

N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide (PubChem CID 4245572) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide
PubChem CID4245572
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide
SMILESCCCCCCCC(=O)Nc1ccc(C(=O)NN=C(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H31N3O2/c1-3-4-5-6-7-15-26(31)28-23-18-16-22(17-19-23)27(32)30-29-20(2)24-14-10-12-21-11-8-9-13-25(21)24/h8-14,16-19H,3-7,15H2,1-2H3,(H,28,31)(H,30,32)
InChIKeyKYDDBVOFTFSESQ-UHFFFAOYSA-N
XLogP6.29
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N'-octadecanoylnaphthalene-1-carbohydrazide
CID 22613560
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
5-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-5-oxopentanoic acid
CID 6155679
N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide
CID 4222006
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
N-[1-(2-hydroxyphenyl)ethylideneamino]decanamide
CID 3656120

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide?
The IUPAC name of N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide (CID 4245572) is N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide?
The canonical SMILES for N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide is CCCCCCCC(=O)Nc1ccc(C(=O)NN=C(C)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide?
The InChIKey is KYDDBVOFTFSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-3-4-5-6-7-15-26(31)28-23-18-16-22(17-19-23)27(32)30-29-20(2)24-14-10-12-21-11-8-9-13-25(21)24/h8-14,16-19H,3-7,15H2,1-2H3,(H,28,31)(H,30,32).
What are the key properties of N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide?
N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide has a molecular weight of 429.56 g/mol, XLogP of 6.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethylideneamino)-4-(octanoylamino)benzamide is sourced from PubChem (CID 4245572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).