N,N-dimethyl-3-nonyldocos-13-enamide

C33H65NO — CID 123595893

IUPACN,N-dimethyl-3-nonyldocos-13-enamide
SMILESCCCCCCCCC=CCCCCCCCCCC(CCCCCCCCC)CC(=O)N(C)C
InChIInChI=1S/C33H65NO/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32(31-33(35)34(3)4)29-27-25-23-12-10-8-6-2/h16-17,32H,5-15,18-31H2,1-4H3
InChIKeyMRGJFWRKJIBMMF-UHFFFAOYSA-N
MW491.89 g/mol
LogP11.04
Rot. Bonds27

About N,N-dimethyl-3-nonyldocos-13-enamide

N,N-dimethyl-3-nonyldocos-13-enamide (PubChem CID 123595893) has the molecular formula C33H65NO and a molecular weight of 491.89 g/mol. Its IUPAC name is N,N-dimethyl-3-nonyldocos-13-enamide.

Molecular Properties

Compound NameN,N-dimethyl-3-nonyldocos-13-enamide
PubChem CID123595893
Molecular FormulaC33H65NO
Molecular Weight491.89 g/mol
Exact Mass491.51
IUPAC NameN,N-dimethyl-3-nonyldocos-13-enamide
SMILESCCCCCCCCC=CCCCCCCCCCC(CCCCCCCCC)CC(=O)N(C)C
InChIInChI=1S/C33H65NO/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32(31-33(35)34(3)4)29-27-25-23-12-10-8-6-2/h16-17,32H,5-15,18-31H2,1-4H3
InChIKeyMRGJFWRKJIBMMF-UHFFFAOYSA-N
XLogP11.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.89
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 19-[2-(dimethylamino)-2-oxoethyl]octacos-9-enoate
CID 123347647
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CID 88559466
(E)-N,N-dimethyldec-3-enamide
CID 11321540
(E)-N,N-dimethyldec-4-enamide
CID 13308680
(Z)-2-hydroxy-N,N-dimethyloctadec-9-enamide
CID 174992167
(3S)-N,N-dimethyl-3-propyloct-7-enamide
CID 134962587
(9Z,28Z)-19-pentylheptatriaconta-9,28-dienediamide
CID 141048473
N-dec-9-enyl-N-decyl-3-hexyltetradecanamide
CID 20565310
3-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]sulfanyl-N,N-dimethylpropanamide
CID 171420546
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
(E)-19-ethylhexacos-12-ene
CID 173194168

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-nonyldocos-13-enamide?
The IUPAC name of N,N-dimethyl-3-nonyldocos-13-enamide (CID 123595893) is N,N-dimethyl-3-nonyldocos-13-enamide.
What is the SMILES notation for N,N-dimethyl-3-nonyldocos-13-enamide?
The canonical SMILES for N,N-dimethyl-3-nonyldocos-13-enamide is CCCCCCCCC=CCCCCCCCCCC(CCCCCCCCC)CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-nonyldocos-13-enamide?
The InChIKey is MRGJFWRKJIBMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H65NO/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32(31-33(35)34(3)4)29-27-25-23-12-10-8-6-2/h16-17,32H,5-15,18-31H2,1-4H3.
What are the key properties of N,N-dimethyl-3-nonyldocos-13-enamide?
N,N-dimethyl-3-nonyldocos-13-enamide has a molecular weight of 491.89 g/mol, XLogP of 11.04, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-nonyldocos-13-enamide is sourced from PubChem (CID 123595893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).