N-methyl-N-propylacetamide;octadecanamide

C24H50N2O2 — CID 174331077

IUPACN-methyl-N-propylacetamide;octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCCN(C)C(C)=O
InChIInChI=1S/C18H37NO.C6H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-7(3)6(2)8/h2-17H2,1H3,(H2,19,20);4-5H2,1-3H3
InChIKeyRPFJFDSCKAJJJI-UHFFFAOYSA-N
MW398.68 g/mol
LogP6.61
Rot. Bonds18

About N-methyl-N-propylacetamide;octadecanamide

N-methyl-N-propylacetamide;octadecanamide (PubChem CID 174331077) has the molecular formula C24H50N2O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is N-methyl-N-propylacetamide;octadecanamide.

Molecular Properties

Compound NameN-methyl-N-propylacetamide;octadecanamide
PubChem CID174331077
Molecular FormulaC24H50N2O2
Molecular Weight398.68 g/mol
Exact Mass398.39
IUPAC NameN-methyl-N-propylacetamide;octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCCN(C)C(C)=O
InChIInChI=1S/C18H37NO.C6H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-7(3)6(2)8/h2-17H2,1H3,(H2,19,20);4-5H2,1-3H3
InChIKeyRPFJFDSCKAJJJI-UHFFFAOYSA-N
XLogP6.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decanamide;N,N-dimethylpropan-1-amine
CID 160827812
N-decyl-N-methylacetamide
CID 22114742
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
N,N-dimethylhexan-1-amine;hexanediamide
CID 174907483
N-butyl-N-methylhydroxylamine;octanamide
CID 175725014
ethane;N-methyl-N-octylacetamide
CID 142531459
acetamide;decanamide;dihydrochloride
CID 141131942
butane;octanamide
CID 87511414
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylacetamide;octadecanamide?
The IUPAC name of N-methyl-N-propylacetamide;octadecanamide (CID 174331077) is N-methyl-N-propylacetamide;octadecanamide.
What is the SMILES notation for N-methyl-N-propylacetamide;octadecanamide?
The canonical SMILES for N-methyl-N-propylacetamide;octadecanamide is CCCCCCCCCCCCCCCCCC(N)=O.CCCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-propylacetamide;octadecanamide?
The InChIKey is RPFJFDSCKAJJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO.C6H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-7(3)6(2)8/h2-17H2,1H3,(H2,19,20);4-5H2,1-3H3.
What are the key properties of N-methyl-N-propylacetamide;octadecanamide?
N-methyl-N-propylacetamide;octadecanamide has a molecular weight of 398.68 g/mol, XLogP of 6.61, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylacetamide;octadecanamide is sourced from PubChem (CID 174331077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).