N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide

C15H21NO2 — CID 70495693

IUPACN-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide
SMILESC=C(C)N(C(=O)COCC)c1c(C)cccc1C
InChIInChI=1S/C15H21NO2/c1-6-18-10-14(17)16(11(2)3)15-12(4)8-7-9-13(15)5/h7-9H,2,6,10H2,1,3-5H3
InChIKeyYPXNXUFMMBOQJT-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.21
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide

N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide (PubChem CID 70495693) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide
PubChem CID70495693
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide
SMILESC=C(C)N(C(=O)COCC)c1c(C)cccc1C
InChIInChI=1S/C15H21NO2/c1-6-18-10-14(17)16(11(2)3)15-12(4)8-7-9-13(15)5/h7-9H,2,6,10H2,1,3-5H3
InChIKeyYPXNXUFMMBOQJT-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-(2-fluoro-6-methylphenyl)acetamide
CID 115909342
2,2-dichloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-3-oxobutanamide
CID 57299901
N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide
CID 56628213
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoacetic acid
CID 15842091
propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate
CID 175159773
1-(3-chlorophenyl)-2-(ethoxymethyl)prop-2-en-1-one
CID 164761370
methyl (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 67568315
2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide
CID 67914778
2,2-dichloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 154731362
N-(2,6-dimethylphenyl)-2-hydroxy-N-methylacetamide
CID 70578533
2-ethoxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 79018444

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide (CID 70495693) is N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide is C=C(C)N(C(=O)COCC)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide?
The InChIKey is YPXNXUFMMBOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-6-18-10-14(17)16(11(2)3)15-12(4)8-7-9-13(15)5/h7-9H,2,6,10H2,1,3-5H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide?
N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide has a molecular weight of 247.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide is sourced from PubChem (CID 70495693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).