N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide

C21H37NO — CID 118682787

IUPACN-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)CCCCCCCCCCCCNC(=O)C1=CC=CC1
InChIInChI=1S/C21H37NO/c1-19(2)15-11-9-7-5-3-4-6-8-10-14-18-22-21(23)20-16-12-13-17-20/h12-13,16,19H,3-11,14-15,17-18H2,1-2H3,(H,22,23)
InChIKeyYFSWSRDQMFTHGL-UHFFFAOYSA-N
MW319.53 g/mol
LogP5.94
Rot. Bonds14

About N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide

N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 118682787) has the molecular formula C21H37NO and a molecular weight of 319.53 g/mol. Its IUPAC name is N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID118682787
Molecular FormulaC21H37NO
Molecular Weight319.53 g/mol
Exact Mass319.29
IUPAC NameN-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)CCCCCCCCCCCCNC(=O)C1=CC=CC1
InChIInChI=1S/C21H37NO/c1-19(2)15-11-9-7-5-3-4-6-8-10-14-18-22-21(23)20-16-12-13-17-20/h12-13,16,19H,3-11,14-15,17-18H2,1-2H3,(H,22,23)
InChIKeyYFSWSRDQMFTHGL-UHFFFAOYSA-N
XLogP5.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.53
LogP ≤ 55.94
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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Frequently Asked Questions

What is the IUPAC name of N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide (CID 118682787) is N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide is CC(C)CCCCCCCCCCCCNC(=O)C1=CC=CC1.
What is the InChIKey of N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is YFSWSRDQMFTHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO/c1-19(2)15-11-9-7-5-3-4-6-8-10-14-18-22-21(23)20-16-12-13-17-20/h12-13,16,19H,3-11,14-15,17-18H2,1-2H3,(H,22,23).
What are the key properties of N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide?
N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 319.53 g/mol, XLogP of 5.94, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(13-methyltetradecyl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 118682787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).