N-[2-(diethylamino)ethyl]-16-methylheptadecanamide

C24H50N2O — CID 87505331

IUPACN-[2-(diethylamino)ethyl]-16-methylheptadecanamide
SMILESCCN(CC)CCNC(=O)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C24H50N2O/c1-5-26(6-2)22-21-25-24(27)20-18-16-14-12-10-8-7-9-11-13-15-17-19-23(3)4/h23H,5-22H2,1-4H3,(H,25,27)
InChIKeyDSNKSAVZJAQITI-UHFFFAOYSA-N
MW382.68 g/mol
LogP6.56
Rot. Bonds20

About N-[2-(diethylamino)ethyl]-16-methylheptadecanamide

N-[2-(diethylamino)ethyl]-16-methylheptadecanamide (PubChem CID 87505331) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-16-methylheptadecanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-16-methylheptadecanamide
PubChem CID87505331
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC NameN-[2-(diethylamino)ethyl]-16-methylheptadecanamide
SMILESCCN(CC)CCNC(=O)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C24H50N2O/c1-5-26(6-2)22-21-25-24(27)20-18-16-14-12-10-8-7-9-11-13-15-17-19-23(3)4/h23H,5-22H2,1-4H3,(H,25,27)
InChIKeyDSNKSAVZJAQITI-UHFFFAOYSA-N
XLogP6.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 56.56
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

N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
N-butyl-7-methyloctanamide
CID 154028337
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
N-hexyl-6-methylheptanamide
CID 141197249
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
3-(7-methyloctanoylamino)propanoic acid
CID 115729984
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
CID 108522253
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-16-methylheptadecanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-16-methylheptadecanamide (CID 87505331) is N-[2-(diethylamino)ethyl]-16-methylheptadecanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-16-methylheptadecanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-16-methylheptadecanamide is CCN(CC)CCNC(=O)CCCCCCCCCCCCCCC(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-16-methylheptadecanamide?
The InChIKey is DSNKSAVZJAQITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O/c1-5-26(6-2)22-21-25-24(27)20-18-16-14-12-10-8-7-9-11-13-15-17-19-23(3)4/h23H,5-22H2,1-4H3,(H,25,27).
What are the key properties of N-[2-(diethylamino)ethyl]-16-methylheptadecanamide?
N-[2-(diethylamino)ethyl]-16-methylheptadecanamide has a molecular weight of 382.68 g/mol, XLogP of 6.56, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-16-methylheptadecanamide is sourced from PubChem (CID 87505331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).