2-methylnonacos-2-enamide

C30H59NO — CID 141002865

IUPAC2-methylnonacos-2-enamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(C)C(N)=O
InChIInChI=1S/C30H59NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)30(31)32/h28H,3-27H2,1-2H3,(H2,31,32)
InChIKeyURKOXTCGCGRQTQ-UHFFFAOYSA-N
MW449.81 g/mol
LogP10.19
Rot. Bonds26

About 2-methylnonacos-2-enamide

2-methylnonacos-2-enamide (PubChem CID 141002865) has the molecular formula C30H59NO and a molecular weight of 449.81 g/mol. Its IUPAC name is 2-methylnonacos-2-enamide.

Molecular Properties

Compound Name2-methylnonacos-2-enamide
PubChem CID141002865
Molecular FormulaC30H59NO
Molecular Weight449.81 g/mol
Exact Mass449.46
IUPAC Name2-methylnonacos-2-enamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(C)C(N)=O
InChIInChI=1S/C30H59NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)30(31)32/h28H,3-27H2,1-2H3,(H2,31,32)
InChIKeyURKOXTCGCGRQTQ-UHFFFAOYSA-N
XLogP10.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.81
LogP ≤ 510.19
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-methylhept-2-enamide;hydrate
CID 172812574
(E)-2-methyl-8-propan-2-ylicos-2-enamide
CID 140652881
11-hydroxy-2-methylundec-2-enamide
CID 141296717
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide
CID 158002582
2-methylhex-2-enamide;hydrochloride
CID 141109029
(Z)-3-methylnon-3-en-2-one
CID 98567788

Frequently Asked Questions

What is the IUPAC name of 2-methylnonacos-2-enamide?
The IUPAC name of 2-methylnonacos-2-enamide (CID 141002865) is 2-methylnonacos-2-enamide.
What is the SMILES notation for 2-methylnonacos-2-enamide?
The canonical SMILES for 2-methylnonacos-2-enamide is CCCCCCCCCCCCCCCCCCCCCCCCCCC=C(C)C(N)=O.
What is the InChIKey of 2-methylnonacos-2-enamide?
The InChIKey is URKOXTCGCGRQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)30(31)32/h28H,3-27H2,1-2H3,(H2,31,32).
What are the key properties of 2-methylnonacos-2-enamide?
2-methylnonacos-2-enamide has a molecular weight of 449.81 g/mol, XLogP of 10.19, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnonacos-2-enamide is sourced from PubChem (CID 141002865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).