N-benzyl-N-dodecyl-2-methylprop-2-enamide

C23H37NO — CID 141486609

IUPACN-benzyl-N-dodecyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCCCCCC)Cc1ccccc1
InChIInChI=1S/C23H37NO/c1-4-5-6-7-8-9-10-11-12-16-19-24(23(25)21(2)3)20-22-17-14-13-15-18-22/h13-15,17-18H,2,4-12,16,19-20H2,1,3H3
InChIKeyAUYZYZPUJYBTOT-UHFFFAOYSA-N
MW343.56 g/mol
LogP6.51
Rot. Bonds14

About N-benzyl-N-dodecyl-2-methylprop-2-enamide

N-benzyl-N-dodecyl-2-methylprop-2-enamide (PubChem CID 141486609) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is N-benzyl-N-dodecyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-dodecyl-2-methylprop-2-enamide
PubChem CID141486609
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC NameN-benzyl-N-dodecyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCCCCCC)Cc1ccccc1
InChIInChI=1S/C23H37NO/c1-4-5-6-7-8-9-10-11-12-16-19-24(23(25)21(2)3)20-22-17-14-13-15-18-22/h13-15,17-18H,2,4-12,16,19-20H2,1,3H3
InChIKeyAUYZYZPUJYBTOT-UHFFFAOYSA-N
XLogP6.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N-benzyl-N-butylpropanamide
CID 12502571
N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
CID 139967484
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827
N,2-dimethyl-N-phenylprop-2-enamide;tridecane
CID 91328548
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N,N-dihexyl-3-phenylpropanamide
CID 532921

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-dodecyl-2-methylprop-2-enamide?
The IUPAC name of N-benzyl-N-dodecyl-2-methylprop-2-enamide (CID 141486609) is N-benzyl-N-dodecyl-2-methylprop-2-enamide.
What is the SMILES notation for N-benzyl-N-dodecyl-2-methylprop-2-enamide?
The canonical SMILES for N-benzyl-N-dodecyl-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCCCCCCCCCC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-dodecyl-2-methylprop-2-enamide?
The InChIKey is AUYZYZPUJYBTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO/c1-4-5-6-7-8-9-10-11-12-16-19-24(23(25)21(2)3)20-22-17-14-13-15-18-22/h13-15,17-18H,2,4-12,16,19-20H2,1,3H3.
What are the key properties of N-benzyl-N-dodecyl-2-methylprop-2-enamide?
N-benzyl-N-dodecyl-2-methylprop-2-enamide has a molecular weight of 343.56 g/mol, XLogP of 6.51, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-dodecyl-2-methylprop-2-enamide is sourced from PubChem (CID 141486609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).