N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide

C18H28N2O — CID 130335297

IUPACN-methyl-8-(2-prop-1-en-2-ylanilino)octanamide
SMILESC=C(C)c1ccccc1NCCCCCCCC(=O)NC
InChIInChI=1S/C18H28N2O/c1-15(2)16-11-8-9-12-17(16)20-14-10-6-4-5-7-13-18(21)19-3/h8-9,11-12,20H,1,4-7,10,13-14H2,2-3H3,(H,19,21)
InChIKeyJVFQCRVEUDZHNQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.22
Rot. Bonds10

About N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide

N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide (PubChem CID 130335297) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide.

Molecular Properties

Compound NameN-methyl-8-(2-prop-1-en-2-ylanilino)octanamide
PubChem CID130335297
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-8-(2-prop-1-en-2-ylanilino)octanamide
SMILESC=C(C)c1ccccc1NCCCCCCCC(=O)NC
InChIInChI=1S/C18H28N2O/c1-15(2)16-11-8-9-12-17(16)20-14-10-6-4-5-7-13-18(21)19-3/h8-9,11-12,20H,1,4-7,10,13-14H2,2-3H3,(H,19,21)
InChIKeyJVFQCRVEUDZHNQ-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-iodoanilino)-N-methylbutanamide
CID 63891619
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
2-[2-(heptylamino)phenyl]-N-methylacetamide
CID 43692231
N-methyl-4-(2-propylanilino)butanamide
CID 63891193
[2-(methylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 7150142
2-(tetradecylamino)benzoic acid
CID 15090293
N,N'-dimethylheptanediamide
CID 15166696
N-methyl-9-phenylnonanamide
CID 118028570
2-(octadec-9-enylamino)benzoic acid
CID 54408716
N-methyl-11-(methylamino)undecanamide
CID 59809097
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide?
The IUPAC name of N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide (CID 130335297) is N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide.
What is the SMILES notation for N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide?
The canonical SMILES for N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide is C=C(C)c1ccccc1NCCCCCCCC(=O)NC.
What is the InChIKey of N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide?
The InChIKey is JVFQCRVEUDZHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(2)16-11-8-9-12-17(16)20-14-10-6-4-5-7-13-18(21)19-3/h8-9,11-12,20H,1,4-7,10,13-14H2,2-3H3,(H,19,21).
What are the key properties of N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide?
N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide has a molecular weight of 288.44 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide is sourced from PubChem (CID 130335297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).