N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide

C18H27N3O — CID 54786974

IUPACN-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=C2CCCCCCC2)c(C)c1
InChIInChI=1S/C18H27N3O/c1-14-10-11-17(15(2)12-14)19-13-18(22)21-20-16-8-6-4-3-5-7-9-16/h10-12,19H,3-9,13H2,1-2H3,(H,21,22)
InChIKeyTZCZQJPYVDHCSI-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.93
Rot. Bonds4

About N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide

N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide (PubChem CID 54786974) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide
PubChem CID54786974
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=C2CCCCCCC2)c(C)c1
InChIInChI=1S/C18H27N3O/c1-14-10-11-17(15(2)12-14)19-13-18(22)21-20-16-8-6-4-3-5-7-9-16/h10-12,19H,3-9,13H2,1-2H3,(H,21,22)
InChIKeyTZCZQJPYVDHCSI-UHFFFAOYSA-N
XLogP3.93
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
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'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide
CID 4677008
2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide
CID 2843077
N-(1-cyclopropylethylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 695075
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156
N-(cyclopentylideneamino)-2-(2-methoxyanilino)acetamide
CID 968177
N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide
CID 690335
N-(cyclopentylideneamino)-2-(2,5-dimethylphenoxy)acetamide
CID 921109
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5338973
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994
N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9273255

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide?
The IUPAC name of N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide (CID 54786974) is N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide.
What is the SMILES notation for N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide?
The canonical SMILES for N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)NN=C2CCCCCCC2)c(C)c1.
What is the InChIKey of N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide?
The InChIKey is TZCZQJPYVDHCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-10-11-17(15(2)12-14)19-13-18(22)21-20-16-8-6-4-3-5-7-9-16/h10-12,19H,3-9,13H2,1-2H3,(H,21,22).
What are the key properties of N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide?
N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide has a molecular weight of 301.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide is sourced from PubChem (CID 54786974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).