N-ethyl-N-(ethylaminomethyl)octadecanamide

C23H48N2O — CID 22497363

IUPACN-ethyl-N-(ethylaminomethyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CC)CNCC
InChIInChI=1S/C23H48N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25(6-3)22-24-5-2/h24H,4-22H2,1-3H3
InChIKeyPBRYVWNJJNCISY-UHFFFAOYSA-N
MW368.65 g/mol
LogP6.66
Rot. Bonds20

About N-ethyl-N-(ethylaminomethyl)octadecanamide

N-ethyl-N-(ethylaminomethyl)octadecanamide (PubChem CID 22497363) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is N-ethyl-N-(ethylaminomethyl)octadecanamide.

Molecular Properties

Compound NameN-ethyl-N-(ethylaminomethyl)octadecanamide
PubChem CID22497363
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC NameN-ethyl-N-(ethylaminomethyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CC)CNCC
InChIInChI=1S/C23H48N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25(6-3)22-24-5-2/h24H,4-22H2,1-3H3
InChIKeyPBRYVWNJJNCISY-UHFFFAOYSA-N
XLogP6.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 56.66
H-Bond Donors ≤ 51
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

N,N-diethyl-3-(heptylamino)propanamide
CID 54936007
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
N,N-diethyl-4-hexoxybutanamide
CID 176838101
N,N-di(nonyl)octanamide
CID 533141
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dipropylnonadecanamide
CID 12960009
N,N-dioctyltetradecanamide
CID 169083302

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(ethylaminomethyl)octadecanamide?
The IUPAC name of N-ethyl-N-(ethylaminomethyl)octadecanamide (CID 22497363) is N-ethyl-N-(ethylaminomethyl)octadecanamide.
What is the SMILES notation for N-ethyl-N-(ethylaminomethyl)octadecanamide?
The canonical SMILES for N-ethyl-N-(ethylaminomethyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(CC)CNCC.
What is the InChIKey of N-ethyl-N-(ethylaminomethyl)octadecanamide?
The InChIKey is PBRYVWNJJNCISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25(6-3)22-24-5-2/h24H,4-22H2,1-3H3.
What are the key properties of N-ethyl-N-(ethylaminomethyl)octadecanamide?
N-ethyl-N-(ethylaminomethyl)octadecanamide has a molecular weight of 368.65 g/mol, XLogP of 6.66, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(ethylaminomethyl)octadecanamide is sourced from PubChem (CID 22497363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).