N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide

C34H68N2O2 — CID 170086510

IUPACN-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide
SMILESCCCCCC/C=C\CCON(C(=O)CCCN(C)C)C(CCCCCCC)CCCCCCCCCC
InChIInChI=1S/C34H68N2O2/c1-6-9-12-15-17-19-22-25-29-33(28-24-21-14-11-8-3)36(34(37)30-27-31-35(4)5)38-32-26-23-20-18-16-13-10-7-2/h20,23,33H,6-19,21-22,24-32H2,1-5H3/b23-20-
InChIKeyMCEVYEOIECXJKL-ATJXCDBQSA-N
MW536.93 g/mol
LogP10.27
Rot. Bonds29

About N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide

N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide (PubChem CID 170086510) has the molecular formula C34H68N2O2 and a molecular weight of 536.93 g/mol. Its IUPAC name is N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide.

Molecular Properties

Compound NameN-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide
PubChem CID170086510
Molecular FormulaC34H68N2O2
Molecular Weight536.93 g/mol
Exact Mass536.53
IUPAC NameN-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide
SMILESCCCCCC/C=C\CCON(C(=O)CCCN(C)C)C(CCCCCCC)CCCCCCCCCC
InChIInChI=1S/C34H68N2O2/c1-6-9-12-15-17-19-22-25-29-33(28-24-21-14-11-8-3)36(34(37)30-27-31-35(4)5)38-32-26-23-20-18-16-13-10-7-2/h20,23,33H,6-19,21-22,24-32H2,1-5H3/b23-20-
InChIKeyMCEVYEOIECXJKL-ATJXCDBQSA-N
XLogP10.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.93
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hexylnonyl 8-[[(Z)-dec-3-enoxy]-[5-(dimethylamino)pentanoyl]amino]octadecanoate
CID 169107812
ethyl 9-[decoxy-[4-(dimethylamino)butanoyl]amino]-2-fluorooctadecanoate;ethyl (Z)-9-[decoxy-[4-(dimethylamino)butanoyl]amino]-2-fluorooctadec-2-enoate
CID 175930978
N-[3-(dimethylamino)propyl]-N-[(6Z,9Z,31Z)-heptatriaconta-6,9,31-trien-19-yl]nonanamide
CID 146552015
bis[(Z)-non-3-enyl] 9-[5-(dimethylamino)pentyl]heptadecanedioate
CID 167577890
[(6Z,9Z,26Z,29Z)-pentatriaconta-6,9,26,29-tetraen-18-yl] 4-(dimethylamino)butanoate
CID 166138288
[(6Z,9Z,13E,28Z,31Z)-heptatriaconta-6,9,13,28,31-pentaen-19-yl] 4-(dimethylamino)butanoate
CID 137427745
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
methyl (Z)-19-[4-(dimethylamino)butanoyloxy]octacos-7-enoate
CID 71815122
(Z)-21-[4-(dimethylamino)butanoyloxy]triacont-9-enoic acid
CID 90008950
(Z)-21-[4-(dimethylamino)butanoyloxy]heptacos-9-enoic acid
CID 90009054
1-O-[(Z)-dodec-3-enyl] 11-O-[(Z)-undec-2-enyl] 6-[4-(dimethylamino)butanoyloxy]undecanedioate
CID 58070074
ethyl 8-[4-(dimethylamino)butanoyloxy]heptacosa-18,21-dienoate
CID 123151918

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide?
The IUPAC name of N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide (CID 170086510) is N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide.
What is the SMILES notation for N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide?
The canonical SMILES for N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide is CCCCCC/C=C\CCON(C(=O)CCCN(C)C)C(CCCCCCC)CCCCCCCCCC.
What is the InChIKey of N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide?
The InChIKey is MCEVYEOIECXJKL-ATJXCDBQSA-N. The full InChI is InChI=1S/C34H68N2O2/c1-6-9-12-15-17-19-22-25-29-33(28-24-21-14-11-8-3)36(34(37)30-27-31-35(4)5)38-32-26-23-20-18-16-13-10-7-2/h20,23,33H,6-19,21-22,24-32H2,1-5H3/b23-20-.
What are the key properties of N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide?
N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide has a molecular weight of 536.93 g/mol, XLogP of 10.27, 29 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-dec-3-enoxy]-4-(dimethylamino)-N-octadecan-8-ylbutanamide is sourced from PubChem (CID 170086510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).