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

C23H48N2O — CID 21187183

IUPACN-[1-(dimethylamino)propyl]-16-methylheptadecanamide
SMILESCCC(NC(=O)CCCCCCCCCCCCCCC(C)C)N(C)C
InChIInChI=1S/C23H48N2O/c1-6-22(25(4)5)24-23(26)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(2)3/h21-22H,6-20H2,1-5H3,(H,24,26)
InChIKeyPUOQUELWZAGTCH-UHFFFAOYSA-N
MW368.65 g/mol
LogP6.52
Rot. Bonds18

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

N-[1-(dimethylamino)propyl]-16-methylheptadecanamide (PubChem CID 21187183) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is N-[1-(dimethylamino)propyl]-16-methylheptadecanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propyl]-16-methylheptadecanamide
PubChem CID21187183
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC NameN-[1-(dimethylamino)propyl]-16-methylheptadecanamide
SMILESCCC(NC(=O)CCCCCCCCCCCCCCC(C)C)N(C)C
InChIInChI=1S/C23H48N2O/c1-6-22(25(4)5)24-23(26)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(2)3/h21-22H,6-20H2,1-5H3,(H,24,26)
InChIKeyPUOQUELWZAGTCH-UHFFFAOYSA-N
XLogP6.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 56.52
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propyl]-16-methylheptadecanamide?
The IUPAC name of N-[1-(dimethylamino)propyl]-16-methylheptadecanamide (CID 21187183) is N-[1-(dimethylamino)propyl]-16-methylheptadecanamide.
What is the SMILES notation for N-[1-(dimethylamino)propyl]-16-methylheptadecanamide?
The canonical SMILES for N-[1-(dimethylamino)propyl]-16-methylheptadecanamide is CCC(NC(=O)CCCCCCCCCCCCCCC(C)C)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)propyl]-16-methylheptadecanamide?
The InChIKey is PUOQUELWZAGTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-6-22(25(4)5)24-23(26)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(2)3/h21-22H,6-20H2,1-5H3,(H,24,26).
What are the key properties of N-[1-(dimethylamino)propyl]-16-methylheptadecanamide?
N-[1-(dimethylamino)propyl]-16-methylheptadecanamide has a molecular weight of 368.65 g/mol, XLogP of 6.52, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propyl]-16-methylheptadecanamide is sourced from PubChem (CID 21187183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).