N,2-dimethylundec-2-enamide

C13H25NO — CID 4562078

IUPACN,2-dimethylundec-2-enamide
SMILESCCCCCCCCC=C(C)C(=O)NC
InChIInChI=1S/C13H25NO/c1-4-5-6-7-8-9-10-11-12(2)13(15)14-3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyPLYIQEYDPNMHPD-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.43
Rot. Bonds8

About N,2-dimethylundec-2-enamide

N,2-dimethylundec-2-enamide (PubChem CID 4562078) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,2-dimethylundec-2-enamide.

Molecular Properties

Compound NameN,2-dimethylundec-2-enamide
PubChem CID4562078
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,2-dimethylundec-2-enamide
SMILESCCCCCCCCC=C(C)C(=O)NC
InChIInChI=1S/C13H25NO/c1-4-5-6-7-8-9-10-11-12(2)13(15)14-3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyPLYIQEYDPNMHPD-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.43
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)-N-ethyl-2-methylnon-2-enamide
CID 87136870
(E)-N-butyl-2-methyldec-2-enamide
CID 140554032
methyl 2-methyloct-2-enoate
CID 71403822
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
hydroxycarbamoyl 2-methyldodec-2-enoate
CID 173146051
(Z)-3-methylnon-3-en-2-one
CID 98567788
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylundec-2-enamide?
The IUPAC name of N,2-dimethylundec-2-enamide (CID 4562078) is N,2-dimethylundec-2-enamide.
What is the SMILES notation for N,2-dimethylundec-2-enamide?
The canonical SMILES for N,2-dimethylundec-2-enamide is CCCCCCCCC=C(C)C(=O)NC.
What is the InChIKey of N,2-dimethylundec-2-enamide?
The InChIKey is PLYIQEYDPNMHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-6-7-8-9-10-11-12(2)13(15)14-3/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N,2-dimethylundec-2-enamide?
N,2-dimethylundec-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylundec-2-enamide is sourced from PubChem (CID 4562078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).