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

C22H46N2O — CID 87505545

IUPACN-[2-(dimethylamino)ethyl]-16-methylheptadecanamide
SMILESCC(C)CCCCCCCCCCCCCCC(=O)NCCN(C)C
InChIInChI=1S/C22H46N2O/c1-21(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(25)23-19-20-24(3)4/h21H,5-20H2,1-4H3,(H,23,25)
InChIKeyBRZFAFGJTKFWQR-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.78
Rot. Bonds18

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

N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide (PubChem CID 87505545) has the molecular formula C22H46N2O and a molecular weight of 354.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-16-methylheptadecanamide
PubChem CID87505545
Molecular FormulaC22H46N2O
Molecular Weight354.62 g/mol
Exact Mass354.36
IUPAC NameN-[2-(dimethylamino)ethyl]-16-methylheptadecanamide
SMILESCC(C)CCCCCCCCCCCCCCC(=O)NCCN(C)C
InChIInChI=1S/C22H46N2O/c1-21(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(25)23-19-20-24(3)4/h21H,5-20H2,1-4H3,(H,23,25)
InChIKeyBRZFAFGJTKFWQR-UHFFFAOYSA-N
XLogP5.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.78
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide (CID 87505545) is N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide is CC(C)CCCCCCCCCCCCCCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide?
The InChIKey is BRZFAFGJTKFWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O/c1-21(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(25)23-19-20-24(3)4/h21H,5-20H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide?
N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide has a molecular weight of 354.62 g/mol, XLogP of 5.78, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-16-methylheptadecanamide is sourced from PubChem (CID 87505545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).