N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide

C24H38N2O3 — CID 58223937

IUPACN,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide
SMILESCC(C)C(=O)CCCCCC(=O)N(C)CCCCCC(=O)N(C)c1ccccc1
InChIInChI=1S/C24H38N2O3/c1-20(2)22(27)16-10-6-11-17-23(28)25(3)19-13-7-12-18-24(29)26(4)21-14-8-5-9-15-21/h5,8-9,14-15,20H,6-7,10-13,16-19H2,1-4H3
InChIKeyNIZWCOXROSQRIR-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.84
Rot. Bonds14

About N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide

N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide (PubChem CID 58223937) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide.

Molecular Properties

Compound NameN,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide
PubChem CID58223937
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC NameN,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide
SMILESCC(C)C(=O)CCCCCC(=O)N(C)CCCCCC(=O)N(C)c1ccccc1
InChIInChI=1S/C24H38N2O3/c1-20(2)22(27)16-10-6-11-17-23(28)25(3)19-13-7-12-18-24(29)26(4)21-14-8-5-9-15-21/h5,8-9,14-15,20H,6-7,10-13,16-19H2,1-4H3
InChIKeyNIZWCOXROSQRIR-UHFFFAOYSA-N
XLogP4.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-phenylnonanamide
CID 54136731
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
6-[(1S,2S,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-(7-methyl-6-oxooctoxy)cyclohexyl]oxy-N-methyl-N-phenylhexanamide;ethane
CID 157344524
N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 169316878
N,11-dimethyl-N-(2-methylpropyl)-10-oxododecanamide
CID 166695144
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
11-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-phenylundecanamide
CID 17035156
2-methyl-9-phenylnonan-3-one
CID 58366233
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
CID 113122262
2-methyl-7-phenylheptan-3-one
CID 13129845
18-(N-methylanilino)-18-oxo-9-sulfooxyoctadecanoic acid
CID 102601797

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide?
The IUPAC name of N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide (CID 58223937) is N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide.
What is the SMILES notation for N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide?
The canonical SMILES for N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide is CC(C)C(=O)CCCCCC(=O)N(C)CCCCCC(=O)N(C)c1ccccc1.
What is the InChIKey of N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide?
The InChIKey is NIZWCOXROSQRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-20(2)22(27)16-10-6-11-17-23(28)25(3)19-13-7-12-18-24(29)26(4)21-14-8-5-9-15-21/h5,8-9,14-15,20H,6-7,10-13,16-19H2,1-4H3.
What are the key properties of N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide?
N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide has a molecular weight of 402.58 g/mol, XLogP of 4.84, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-[6-(N-methylanilino)-6-oxohexyl]-7-oxononanamide is sourced from PubChem (CID 58223937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).