N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide

C20H39NO — CID 129189639

IUPACN-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide
SMILESCCCCCCCC(CCCCCC)C1CC(C(=O)NC)C1
InChIInChI=1S/C20H39NO/c1-4-6-8-10-12-14-17(13-11-9-7-5-2)18-15-19(16-18)20(22)21-3/h17-19H,4-16H2,1-3H3,(H,21,22)
InChIKeyMMMPOAJHROWMJI-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.71
Rot. Bonds13

About N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide

N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide (PubChem CID 129189639) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide
PubChem CID129189639
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC NameN-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide
SMILESCCCCCCCC(CCCCCC)C1CC(C(=O)NC)C1
InChIInChI=1S/C20H39NO/c1-4-6-8-10-12-14-17(13-11-9-7-5-2)18-15-19(16-18)20(22)21-3/h17-19H,4-16H2,1-3H3,(H,21,22)
InChIKeyMMMPOAJHROWMJI-UHFFFAOYSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.71
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

1-N,3-N,5-N-tri(octan-2-yl)cyclohexane-1,3,5-tricarboxamide
CID 102292990
1-cyclopropyl-2-(methylamino)nonan-1-one
CID 143142039
4-cyclopropylheptadecanoic acid
CID 68637833
3-tridecan-7-yloxetane
CID 130235812
hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
3-(methylamino)nonan-2-one
CID 21024660
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
5-hydroxy-N-methylundecanamide
CID 12996608
6-pentadecan-3-ylcycloundecane-1-carboxylic acid
CID 71129172
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide?
The IUPAC name of N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide (CID 129189639) is N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide.
What is the SMILES notation for N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide?
The canonical SMILES for N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide is CCCCCCCC(CCCCCC)C1CC(C(=O)NC)C1.
What is the InChIKey of N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide?
The InChIKey is MMMPOAJHROWMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-4-6-8-10-12-14-17(13-11-9-7-5-2)18-15-19(16-18)20(22)21-3/h17-19H,4-16H2,1-3H3,(H,21,22).
What are the key properties of N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide?
N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide has a molecular weight of 309.54 g/mol, XLogP of 5.71, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-tetradecan-7-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 129189639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).