(E)-N-butyl-2-methyldec-2-enamide

C15H29NO — CID 140554032

IUPAC(E)-N-butyl-2-methyldec-2-enamide
SMILESCCCCCCC/C=C(\C)C(=O)NCCCC
InChIInChI=1S/C15H29NO/c1-4-6-8-9-10-11-12-14(3)15(17)16-13-7-5-2/h12H,4-11,13H2,1-3H3,(H,16,17)/b14-12+
InChIKeyRLURTMVLEAVTFH-WYMLVPIESA-N
MW239.40 g/mol
LogP4.21
Rot. Bonds10

About (E)-N-butyl-2-methyldec-2-enamide

(E)-N-butyl-2-methyldec-2-enamide (PubChem CID 140554032) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (E)-N-butyl-2-methyldec-2-enamide.

Molecular Properties

Compound Name(E)-N-butyl-2-methyldec-2-enamide
PubChem CID140554032
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(E)-N-butyl-2-methyldec-2-enamide
SMILESCCCCCCC/C=C(\C)C(=O)NCCCC
InChIInChI=1S/C15H29NO/c1-4-6-8-9-10-11-12-14(3)15(17)16-13-7-5-2/h12H,4-11,13H2,1-3H3,(H,16,17)/b14-12+
InChIKeyRLURTMVLEAVTFH-WYMLVPIESA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.21
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
N,2-dimethylundec-2-enamide
CID 4562078
(Z)-N-butyl-3-iodo-2-methylprop-2-enamide
CID 125477558
methyl 2-methyloct-2-enoate
CID 71403822
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
N'-butyl-2-methylhept-2-enehydrazide
CID 141470562
(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
N,N'-diheptyloxamide
CID 3417538

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-2-methyldec-2-enamide?
The IUPAC name of (E)-N-butyl-2-methyldec-2-enamide (CID 140554032) is (E)-N-butyl-2-methyldec-2-enamide.
What is the SMILES notation for (E)-N-butyl-2-methyldec-2-enamide?
The canonical SMILES for (E)-N-butyl-2-methyldec-2-enamide is CCCCCCC/C=C(\C)C(=O)NCCCC.
What is the InChIKey of (E)-N-butyl-2-methyldec-2-enamide?
The InChIKey is RLURTMVLEAVTFH-WYMLVPIESA-N. The full InChI is InChI=1S/C15H29NO/c1-4-6-8-9-10-11-12-14(3)15(17)16-13-7-5-2/h12H,4-11,13H2,1-3H3,(H,16,17)/b14-12+.
What are the key properties of (E)-N-butyl-2-methyldec-2-enamide?
(E)-N-butyl-2-methyldec-2-enamide has a molecular weight of 239.40 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-2-methyldec-2-enamide is sourced from PubChem (CID 140554032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).