2-methyl-4-octyltridec-2-enamide

C22H43NO — CID 173039880

IUPAC2-methyl-4-octyltridec-2-enamide
SMILESCCCCCCCCCC(C=C(C)C(N)=O)CCCCCCCC
InChIInChI=1S/C22H43NO/c1-4-6-8-10-12-14-16-18-21(19-20(3)22(23)24)17-15-13-11-9-7-5-2/h19,21H,4-18H2,1-3H3,(H2,23,24)
InChIKeyXWVPUISARXPZQR-UHFFFAOYSA-N
MW337.59 g/mol
LogP6.93
Rot. Bonds17

About 2-methyl-4-octyltridec-2-enamide

2-methyl-4-octyltridec-2-enamide (PubChem CID 173039880) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 2-methyl-4-octyltridec-2-enamide.

Molecular Properties

Compound Name2-methyl-4-octyltridec-2-enamide
PubChem CID173039880
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name2-methyl-4-octyltridec-2-enamide
SMILESCCCCCCCCCC(C=C(C)C(N)=O)CCCCCCCC
InChIInChI=1S/C22H43NO/c1-4-6-8-10-12-14-16-18-21(19-20(3)22(23)24)17-15-13-11-9-7-5-2/h19,21H,4-18H2,1-3H3,(H2,23,24)
InChIKeyXWVPUISARXPZQR-UHFFFAOYSA-N
XLogP6.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-propyldec-2-enoic acid
CID 173472927
(E)-4-ethyl-2-methylundec-2-enoic acid
CID 23505055
4-(dihexylamino)-2-methylhex-2-enamide
CID 173220582
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
(E)-2-methyl-8-propan-2-ylicos-2-enamide
CID 140652881
(Z)-4-ethyl-2-methyloct-2-enoic acid
CID 5354816
2-acetyloctanethioamide
CID 141048820
2-methyl-4-oxotridec-2-enamide
CID 141089964
2-dodecylnonadecanamide
CID 175503182
2-hexyloctanamide
CID 87302701
acetic acid;heptatriacontan-19-amine
CID 173373447

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-octyltridec-2-enamide?
The IUPAC name of 2-methyl-4-octyltridec-2-enamide (CID 173039880) is 2-methyl-4-octyltridec-2-enamide.
What is the SMILES notation for 2-methyl-4-octyltridec-2-enamide?
The canonical SMILES for 2-methyl-4-octyltridec-2-enamide is CCCCCCCCCC(C=C(C)C(N)=O)CCCCCCCC.
What is the InChIKey of 2-methyl-4-octyltridec-2-enamide?
The InChIKey is XWVPUISARXPZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-4-6-8-10-12-14-16-18-21(19-20(3)22(23)24)17-15-13-11-9-7-5-2/h19,21H,4-18H2,1-3H3,(H2,23,24).
What are the key properties of 2-methyl-4-octyltridec-2-enamide?
2-methyl-4-octyltridec-2-enamide has a molecular weight of 337.59 g/mol, XLogP of 6.93, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-octyltridec-2-enamide is sourced from PubChem (CID 173039880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).