N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide

C19H31NO — CID 129065911

IUPACN-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide
SMILESC=CCCCCCCCCC(=O)N(C)CC1=CC=CCC1
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-13-16-19(21)20(2)17-18-14-11-10-12-15-18/h3,10-11,14H,1,4-9,12-13,15-17H2,2H3
InChIKeyGTXLHKAESNNCMZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.03
Rot. Bonds11

About N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide

N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide (PubChem CID 129065911) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide.

Molecular Properties

Compound NameN-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide
PubChem CID129065911
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide
SMILESC=CCCCCCCCCC(=O)N(C)CC1=CC=CCC1
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-13-16-19(21)20(2)17-18-14-11-10-12-15-18/h3,10-11,14H,1,4-9,12-13,15-17H2,2H3
InChIKeyGTXLHKAESNNCMZ-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide?
The IUPAC name of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide (CID 129065911) is N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide.
What is the SMILES notation for N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide?
The canonical SMILES for N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide is C=CCCCCCCCCC(=O)N(C)CC1=CC=CCC1.
What is the InChIKey of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide?
The InChIKey is GTXLHKAESNNCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-13-16-19(21)20(2)17-18-14-11-10-12-15-18/h3,10-11,14H,1,4-9,12-13,15-17H2,2H3.
What are the key properties of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide?
N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide has a molecular weight of 289.46 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,3-dien-1-ylmethyl)-N-methylundec-10-enamide is sourced from PubChem (CID 129065911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).