(E)-2-methyl-8-propan-2-ylicos-2-enamide

C24H47NO — CID 140652881

IUPAC(E)-2-methyl-8-propan-2-ylicos-2-enamide
SMILESCCCCCCCCCCCCC(CCCC/C=C(\C)C(N)=O)C(C)C
InChIInChI=1S/C24H47NO/c1-5-6-7-8-9-10-11-12-13-16-19-23(21(2)3)20-17-14-15-18-22(4)24(25)26/h18,21,23H,5-17,19-20H2,1-4H3,(H2,25,26)/b22-18+
InChIKeyWJMUQZSQPVNSCW-RELWKKBWSA-N
MW365.65 g/mol
LogP7.56
Rot. Bonds18

About (E)-2-methyl-8-propan-2-ylicos-2-enamide

(E)-2-methyl-8-propan-2-ylicos-2-enamide (PubChem CID 140652881) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is (E)-2-methyl-8-propan-2-ylicos-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-8-propan-2-ylicos-2-enamide
PubChem CID140652881
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name(E)-2-methyl-8-propan-2-ylicos-2-enamide
SMILESCCCCCCCCCCCCC(CCCC/C=C(\C)C(N)=O)C(C)C
InChIInChI=1S/C24H47NO/c1-5-6-7-8-9-10-11-12-13-16-19-23(21(2)3)20-17-14-15-18-22(4)24(25)26/h18,21,23H,5-17,19-20H2,1-4H3,(H2,25,26)/b22-18+
InChIKeyWJMUQZSQPVNSCW-RELWKKBWSA-N
XLogP7.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.56
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

(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
(E)-2,11-dimethyldodec-2-enamide
CID 88624041
(E)-2,18-dimethylnonadec-2-enamide
CID 144939555
2-methylhept-2-enamide;hydrate
CID 172812574
10-propan-2-ylnonadecanal
CID 167408636
2,8-dimethylhexadec-2-enoic acid
CID 90737317
6-propan-2-yltridecane
CID 123704479
8-propan-2-ylpentadecane
CID 153475308
(E)-5-propan-2-yltetracos-11-ene
CID 173194520
11-hydroxy-2-methylundec-2-enamide
CID 141296717
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-8-propan-2-ylicos-2-enamide?
The IUPAC name of (E)-2-methyl-8-propan-2-ylicos-2-enamide (CID 140652881) is (E)-2-methyl-8-propan-2-ylicos-2-enamide.
What is the SMILES notation for (E)-2-methyl-8-propan-2-ylicos-2-enamide?
The canonical SMILES for (E)-2-methyl-8-propan-2-ylicos-2-enamide is CCCCCCCCCCCCC(CCCC/C=C(\C)C(N)=O)C(C)C.
What is the InChIKey of (E)-2-methyl-8-propan-2-ylicos-2-enamide?
The InChIKey is WJMUQZSQPVNSCW-RELWKKBWSA-N. The full InChI is InChI=1S/C24H47NO/c1-5-6-7-8-9-10-11-12-13-16-19-23(21(2)3)20-17-14-15-18-22(4)24(25)26/h18,21,23H,5-17,19-20H2,1-4H3,(H2,25,26)/b22-18+.
What are the key properties of (E)-2-methyl-8-propan-2-ylicos-2-enamide?
(E)-2-methyl-8-propan-2-ylicos-2-enamide has a molecular weight of 365.65 g/mol, XLogP of 7.56, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-8-propan-2-ylicos-2-enamide is sourced from PubChem (CID 140652881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).