N-dodecyl-4,4-dimethylhexanamide

C20H41NO — CID 88894406

IUPACN-dodecyl-4,4-dimethylhexanamide
SMILESCCCCCCCCCCCCNC(=O)CCC(C)(C)CC
InChIInChI=1S/C20H41NO/c1-5-7-8-9-10-11-12-13-14-15-18-21-19(22)16-17-20(3,4)6-2/h5-18H2,1-4H3,(H,21,22)
InChIKeyOYJQQQYRJMCPQN-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.24
Rot. Bonds15

About N-dodecyl-4,4-dimethylhexanamide

N-dodecyl-4,4-dimethylhexanamide (PubChem CID 88894406) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N-dodecyl-4,4-dimethylhexanamide.

Molecular Properties

Compound NameN-dodecyl-4,4-dimethylhexanamide
PubChem CID88894406
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN-dodecyl-4,4-dimethylhexanamide
SMILESCCCCCCCCCCCCNC(=O)CCC(C)(C)CC
InChIInChI=1S/C20H41NO/c1-5-7-8-9-10-11-12-13-14-15-18-21-19(22)16-17-20(3,4)6-2/h5-18H2,1-4H3,(H,21,22)
InChIKeyOYJQQQYRJMCPQN-UHFFFAOYSA-N
XLogP6.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-7,7-dimethyloctanamide
CID 139961894
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-4,4-dimethylhexanamide?
The IUPAC name of N-dodecyl-4,4-dimethylhexanamide (CID 88894406) is N-dodecyl-4,4-dimethylhexanamide.
What is the SMILES notation for N-dodecyl-4,4-dimethylhexanamide?
The canonical SMILES for N-dodecyl-4,4-dimethylhexanamide is CCCCCCCCCCCCNC(=O)CCC(C)(C)CC.
What is the InChIKey of N-dodecyl-4,4-dimethylhexanamide?
The InChIKey is OYJQQQYRJMCPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-5-7-8-9-10-11-12-13-14-15-18-21-19(22)16-17-20(3,4)6-2/h5-18H2,1-4H3,(H,21,22).
What are the key properties of N-dodecyl-4,4-dimethylhexanamide?
N-dodecyl-4,4-dimethylhexanamide has a molecular weight of 311.55 g/mol, XLogP of 6.24, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-4,4-dimethylhexanamide is sourced from PubChem (CID 88894406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).