N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide

C20H40N2O2 — CID 58223926

IUPACN-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide
SMILESCC(C)C(=O)CCCCCN(C)CCCCCC(=O)N(C)C(C)C
InChIInChI=1S/C20H40N2O2/c1-17(2)19(23)13-9-7-11-15-21(5)16-12-8-10-14-20(24)22(6)18(3)4/h17-18H,7-16H2,1-6H3
InChIKeyFITITCNKXYPWFP-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.13
Rot. Bonds14

About N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide

N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide (PubChem CID 58223926) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide.

Molecular Properties

Compound NameN-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide
PubChem CID58223926
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC NameN-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide
SMILESCC(C)C(=O)CCCCCN(C)CCCCCC(=O)N(C)C(C)C
InChIInChI=1S/C20H40N2O2/c1-17(2)19(23)13-9-7-11-15-21(5)16-12-8-10-14-20(24)22(6)18(3)4/h17-18H,7-16H2,1-6H3
InChIKeyFITITCNKXYPWFP-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.13
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,n'-Dimethyl-n,n'-dibutyltetradecylmalonamide
CID 14944519
7-methyl-N,N-di(propan-2-yl)octanamide
CID 170848962
N,N-dibutyl-7-methyloctanamide
CID 170848963
2-ethyl-N-methyl-N-octylhexanamide
CID 135285097
N-dodecyl-2-ethyl-N-propylhexanamide
CID 153730402
2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
CID 72801227
N,N,N',N'-tetra-2-ethylhexylglutaramide
CID 132276254
(3S)-3-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]cyclotridecan-1-one
CID 134999935
(3S)-3-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]cyclotetradecan-1-one
CID 134999936
2-methyl-N,N-di(propan-2-yl)decanamide
CID 170848956
8-methyl-N,N-dipropylnonanamide
CID 170848967
N,N-dibutyl-8-methylnonanamide
CID 170848968

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide?
The IUPAC name of N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide (CID 58223926) is N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide.
What is the SMILES notation for N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide?
The canonical SMILES for N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide is CC(C)C(=O)CCCCCN(C)CCCCCC(=O)N(C)C(C)C.
What is the InChIKey of N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide?
The InChIKey is FITITCNKXYPWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-17(2)19(23)13-9-7-11-15-21(5)16-12-8-10-14-20(24)22(6)18(3)4/h17-18H,7-16H2,1-6H3.
What are the key properties of N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide?
N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide has a molecular weight of 340.55 g/mol, XLogP of 4.13, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[methyl-(7-methyl-6-oxooctyl)amino]-N-propan-2-ylhexanamide is sourced from PubChem (CID 58223926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).