N-methyl-N-(2-methylhexan-2-yl)nonanamide

C17H35NO — CID 91092299

IUPACN-methyl-N-(2-methylhexan-2-yl)nonanamide
SMILESCCCCCCCCC(=O)N(C)C(C)(C)CCCC
InChIInChI=1S/C17H35NO/c1-6-8-10-11-12-13-14-16(19)18(5)17(3,4)15-9-7-2/h6-15H2,1-5H3
InChIKeyFRRTVHRLRJXVBM-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.16
Rot. Bonds11

About N-methyl-N-(2-methylhexan-2-yl)nonanamide

N-methyl-N-(2-methylhexan-2-yl)nonanamide (PubChem CID 91092299) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-methyl-N-(2-methylhexan-2-yl)nonanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylhexan-2-yl)nonanamide
PubChem CID91092299
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-methyl-N-(2-methylhexan-2-yl)nonanamide
SMILESCCCCCCCCC(=O)N(C)C(C)(C)CCCC
InChIInChI=1S/C17H35NO/c1-6-8-10-11-12-13-14-16(19)18(5)17(3,4)15-9-7-2/h6-15H2,1-5H3
InChIKeyFRRTVHRLRJXVBM-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[heptanoyl(methyl)amino]-2-methylpropanoic acid
CID 62817407
N-decanoyl-N-methyldecanamide
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N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N-hydroxy-N-methyloctadecanamide
CID 19818891
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
N-methyl-N-octylheptacosanamide
CID 87394998
5,5-dimethyltridecan-6-one
CID 19931387
N-acetyl-N-methyltetradecanamide
CID 54508567
N-methyl-N-octylnonanamide
CID 140654825
N,N-bis(2-hydroxypropyl)docosanamide
CID 102118847

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylhexan-2-yl)nonanamide?
The IUPAC name of N-methyl-N-(2-methylhexan-2-yl)nonanamide (CID 91092299) is N-methyl-N-(2-methylhexan-2-yl)nonanamide.
What is the SMILES notation for N-methyl-N-(2-methylhexan-2-yl)nonanamide?
The canonical SMILES for N-methyl-N-(2-methylhexan-2-yl)nonanamide is CCCCCCCCC(=O)N(C)C(C)(C)CCCC.
What is the InChIKey of N-methyl-N-(2-methylhexan-2-yl)nonanamide?
The InChIKey is FRRTVHRLRJXVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-8-10-11-12-13-14-16(19)18(5)17(3,4)15-9-7-2/h6-15H2,1-5H3.
What are the key properties of N-methyl-N-(2-methylhexan-2-yl)nonanamide?
N-methyl-N-(2-methylhexan-2-yl)nonanamide has a molecular weight of 269.47 g/mol, XLogP of 5.16, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylhexan-2-yl)nonanamide is sourced from PubChem (CID 91092299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).