(Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide

C18H35NO2 — CID 126704323

IUPAC(Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide
SMILESCON(C)C(=O)C(C)(C)CC(C)/C=C\C(C)CC(C)(C)C
InChIInChI=1S/C18H35NO2/c1-14(12-17(3,4)5)10-11-15(2)13-18(6,7)16(20)19(8)21-9/h10-11,14-15H,12-13H2,1-9H3/b11-10-
InChIKeyXHKOMMRQUDQESY-KHPPLWFESA-N
MW297.48 g/mol
LogP4.69
Rot. Bonds7

About (Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide

(Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide (PubChem CID 126704323) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide.

Molecular Properties

Compound Name(Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide
PubChem CID126704323
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name(Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide
SMILESCON(C)C(=O)C(C)(C)CC(C)/C=C\C(C)CC(C)(C)C
InChIInChI=1S/C18H35NO2/c1-14(12-17(3,4)5)10-11-15(2)13-18(6,7)16(20)19(8)21-9/h10-11,14-15H,12-13H2,1-9H3/b11-10-
InChIKeyXHKOMMRQUDQESY-KHPPLWFESA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 143976029
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CID 134933360
(2S)-N-methoxy-N,2,3-trimethyl-2-trimethylsilyloxybutanamide
CID 11207374
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
4,6,6-trimethylhept-2-ene
CID 91083549
[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
CID 160785911
methyl (E)-6-cyano-2,2,4-trimethylhex-5-enoate
CID 170450776
N-methoxy-N,5,5-trimethylhexanamide
CID 89296256
3,5,5-trimethylhex-1-enyl benzoate
CID 151994921
[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 91623533
4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302588
N-methoxy-N,3-dimethylbutanamide
CID 10975620

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide?
The IUPAC name of (Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide (CID 126704323) is (Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide.
What is the SMILES notation for (Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide?
The canonical SMILES for (Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide is CON(C)C(=O)C(C)(C)CC(C)/C=C\C(C)CC(C)(C)C.
What is the InChIKey of (Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide?
The InChIKey is XHKOMMRQUDQESY-KHPPLWFESA-N. The full InChI is InChI=1S/C18H35NO2/c1-14(12-17(3,4)5)10-11-15(2)13-18(6,7)16(20)19(8)21-9/h10-11,14-15H,12-13H2,1-9H3/b11-10-.
What are the key properties of (Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide?
(Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide has a molecular weight of 297.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide is sourced from PubChem (CID 126704323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).