N-benzyl-2-(dimethylamino)-N-dodecylacetamide

C23H40N2O — CID 172759301

IUPACN-benzyl-2-(dimethylamino)-N-dodecylacetamide
SMILESCCCCCCCCCCCCN(Cc1ccccc1)C(=O)CN(C)C
InChIInChI=1S/C23H40N2O/c1-4-5-6-7-8-9-10-11-12-16-19-25(23(26)21-24(2)3)20-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3
InChIKeyLLQUURMGLCOISO-UHFFFAOYSA-N
MW360.59 g/mol
LogP5.50
Rot. Bonds15

About N-benzyl-2-(dimethylamino)-N-dodecylacetamide

N-benzyl-2-(dimethylamino)-N-dodecylacetamide (PubChem CID 172759301) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is N-benzyl-2-(dimethylamino)-N-dodecylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(dimethylamino)-N-dodecylacetamide
PubChem CID172759301
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC NameN-benzyl-2-(dimethylamino)-N-dodecylacetamide
SMILESCCCCCCCCCCCCN(Cc1ccccc1)C(=O)CN(C)C
InChIInChI=1S/C23H40N2O/c1-4-5-6-7-8-9-10-11-12-16-19-25(23(26)21-24(2)3)20-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3
InChIKeyLLQUURMGLCOISO-UHFFFAOYSA-N
XLogP5.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N,N-dihexyl-3-phenylpropanamide
CID 532921
N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide
CID 68871257
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(dimethylamino)-N-dodecylacetamide?
The IUPAC name of N-benzyl-2-(dimethylamino)-N-dodecylacetamide (CID 172759301) is N-benzyl-2-(dimethylamino)-N-dodecylacetamide.
What is the SMILES notation for N-benzyl-2-(dimethylamino)-N-dodecylacetamide?
The canonical SMILES for N-benzyl-2-(dimethylamino)-N-dodecylacetamide is CCCCCCCCCCCCN(Cc1ccccc1)C(=O)CN(C)C.
What is the InChIKey of N-benzyl-2-(dimethylamino)-N-dodecylacetamide?
The InChIKey is LLQUURMGLCOISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O/c1-4-5-6-7-8-9-10-11-12-16-19-25(23(26)21-24(2)3)20-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3.
What are the key properties of N-benzyl-2-(dimethylamino)-N-dodecylacetamide?
N-benzyl-2-(dimethylamino)-N-dodecylacetamide has a molecular weight of 360.59 g/mol, XLogP of 5.50, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(dimethylamino)-N-dodecylacetamide is sourced from PubChem (CID 172759301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).