2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide

C28H41NO — CID 175049026

IUPAC2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCCCCCCCC)c1cccc2ccccc12
InChIInChI=1S/C28H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-29(28(30)24(2)3)27-22-18-20-25-19-15-16-21-26(25)27/h15-16,18-22H,2,4-14,17,23H2,1,3H3
InChIKeySXQKWUFWLZDHNM-UHFFFAOYSA-N
MW407.64 g/mol
LogP8.45
Rot. Bonds15

About 2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide

2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide (PubChem CID 175049026) has the molecular formula C28H41NO and a molecular weight of 407.64 g/mol. Its IUPAC name is 2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide
PubChem CID175049026
Molecular FormulaC28H41NO
Molecular Weight407.64 g/mol
Exact Mass407.32
IUPAC Name2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCCCCCCCC)c1cccc2ccccc12
InChIInChI=1S/C28H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-29(28(30)24(2)3)27-22-18-20-25-19-15-16-21-26(25)27/h15-16,18-22H,2,4-14,17,23H2,1,3H3
InChIKeySXQKWUFWLZDHNM-UHFFFAOYSA-N
XLogP8.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.64
LogP ≤ 58.45
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'-cyclooctyl-N,N'-dinaphthalen-1-yl-N-octyloxamide
CID 57075383
3-[butyl(2-methylprop-2-enoyl)amino]benzene-1,2-disulfonic acid
CID 154304909
2-methylidene-N-octyl-N-phenylundecanamide
CID 54081211
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
(E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide
CID 102223656
N,2-dimethyl-N-phenylprop-2-enamide;tridecane
CID 91328548
N,N'-bis(2-methylundecan-2-ylsulfanyl)-N,N'-dinaphthalen-1-yloxamide
CID 20554130
N-hexyl-N-phenylacetamide
CID 13217997
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
octyl(phenyl)carbamic acid
CID 54301990
N-(2-bromophenyl)-N-ethyl-2-methylprop-2-enamide
CID 168864432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide?
The IUPAC name of 2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide (CID 175049026) is 2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide?
The canonical SMILES for 2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide is C=C(C)C(=O)N(CCCCCCCCCCCCCC)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide?
The InChIKey is SXQKWUFWLZDHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-29(28(30)24(2)3)27-22-18-20-25-19-15-16-21-26(25)27/h15-16,18-22H,2,4-14,17,23H2,1,3H3.
What are the key properties of 2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide?
2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide has a molecular weight of 407.64 g/mol, XLogP of 8.45, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide is sourced from PubChem (CID 175049026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).