N-[1-(ethylamino)propyl]-16-methylheptadecanamide

C23H48N2O — CID 19871028

IUPACN-[1-(ethylamino)propyl]-16-methylheptadecanamide
SMILESCCNC(CC)NC(=O)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C23H48N2O/c1-5-22(24-6-2)25-23(26)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(3)4/h21-22,24H,5-20H2,1-4H3,(H,25,26)
InChIKeyJOHLXDKVDZHMCA-UHFFFAOYSA-N
MW368.65 g/mol
LogP6.57
Rot. Bonds19

About N-[1-(ethylamino)propyl]-16-methylheptadecanamide

N-[1-(ethylamino)propyl]-16-methylheptadecanamide (PubChem CID 19871028) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is N-[1-(ethylamino)propyl]-16-methylheptadecanamide.

Molecular Properties

Compound NameN-[1-(ethylamino)propyl]-16-methylheptadecanamide
PubChem CID19871028
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC NameN-[1-(ethylamino)propyl]-16-methylheptadecanamide
SMILESCCNC(CC)NC(=O)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C23H48N2O/c1-5-22(24-6-2)25-23(26)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(3)4/h21-22,24H,5-20H2,1-4H3,(H,25,26)
InChIKeyJOHLXDKVDZHMCA-UHFFFAOYSA-N
XLogP6.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Isostearamidopropyl Dimethylamine
CID 105621
Isononanamide, N-(2-ethylhexyl)-
CID 15334712
N,N'-(iminodiethylene)bis(isononan-1-amide)
CID 44146389
N-(2-methylbutyl)dodecanamide
CID 122184887
Octanamide, N-(5-amino-2-methylpentyl)-
CID 85630598
N-Isopentyltridecanamide
CID 122222790
Octanamide, N-(5-amino-4-methylpentyl)-
CID 11107544
Isooctadecanamide, N-(2-((2-aminoethyl)amino)ethyl)-
CID 109516
Isooctadecanamide, N,N'-1,2-ethanediylbis-
CID 113006
N-(2-ethylhexyl)octadecanamide
CID 151289703
2-(2-cyclopentylethyl)-N-ethyldecanamide
CID 156013734
(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide
CID 97046606

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)propyl]-16-methylheptadecanamide?
The IUPAC name of N-[1-(ethylamino)propyl]-16-methylheptadecanamide (CID 19871028) is N-[1-(ethylamino)propyl]-16-methylheptadecanamide.
What is the SMILES notation for N-[1-(ethylamino)propyl]-16-methylheptadecanamide?
The canonical SMILES for N-[1-(ethylamino)propyl]-16-methylheptadecanamide is CCNC(CC)NC(=O)CCCCCCCCCCCCCCC(C)C.
What is the InChIKey of N-[1-(ethylamino)propyl]-16-methylheptadecanamide?
The InChIKey is JOHLXDKVDZHMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-5-22(24-6-2)25-23(26)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(3)4/h21-22,24H,5-20H2,1-4H3,(H,25,26).
What are the key properties of N-[1-(ethylamino)propyl]-16-methylheptadecanamide?
N-[1-(ethylamino)propyl]-16-methylheptadecanamide has a molecular weight of 368.65 g/mol, XLogP of 6.57, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)propyl]-16-methylheptadecanamide is sourced from PubChem (CID 19871028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).