N-butyl-10,10-dimethylundecanamide

C17H35NO — CID 19922141

IUPACN-butyl-10,10-dimethylundecanamide
SMILESCCCCNC(=O)CCCCCCCCC(C)(C)C
InChIInChI=1S/C17H35NO/c1-5-6-15-18-16(19)13-11-9-7-8-10-12-14-17(2,3)4/h5-15H2,1-4H3,(H,18,19)
InChIKeyZFJHRJKDHULBAJ-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.07
Rot. Bonds11

About N-butyl-10,10-dimethylundecanamide

N-butyl-10,10-dimethylundecanamide (PubChem CID 19922141) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-butyl-10,10-dimethylundecanamide.

Molecular Properties

Compound NameN-butyl-10,10-dimethylundecanamide
PubChem CID19922141
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-butyl-10,10-dimethylundecanamide
SMILESCCCCNC(=O)CCCCCCCCC(C)(C)C
InChIInChI=1S/C17H35NO/c1-5-6-15-18-16(19)13-11-9-7-8-10-12-14-17(2,3)4/h5-15H2,1-4H3,(H,18,19)
InChIKeyZFJHRJKDHULBAJ-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.07
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-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-butyl-10,10-dimethylundecanamide?
The IUPAC name of N-butyl-10,10-dimethylundecanamide (CID 19922141) is N-butyl-10,10-dimethylundecanamide.
What is the SMILES notation for N-butyl-10,10-dimethylundecanamide?
The canonical SMILES for N-butyl-10,10-dimethylundecanamide is CCCCNC(=O)CCCCCCCCC(C)(C)C.
What is the InChIKey of N-butyl-10,10-dimethylundecanamide?
The InChIKey is ZFJHRJKDHULBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-6-15-18-16(19)13-11-9-7-8-10-12-14-17(2,3)4/h5-15H2,1-4H3,(H,18,19).
What are the key properties of N-butyl-10,10-dimethylundecanamide?
N-butyl-10,10-dimethylundecanamide has a molecular weight of 269.47 g/mol, XLogP of 5.07, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-10,10-dimethylundecanamide is sourced from PubChem (CID 19922141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).