N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide

C14H21NO2 — CID 71998958

IUPACN-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO2/c1-10-5-11(2)7-13(6-10)8-12(3)15-14(16)9-17-4/h5-7,12H,8-9H2,1-4H3,(H,15,16)
InChIKeyKKHMAZITARWLHD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide

N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide (PubChem CID 71998958) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide
PubChem CID71998958
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO2/c1-10-5-11(2)7-13(6-10)8-12(3)15-14(16)9-17-4/h5-7,12H,8-9H2,1-4H3,(H,15,16)
InChIKeyKKHMAZITARWLHD-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide
CID 120563508
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
CID 119336726
2-methoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47062728
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 71998957
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide
CID 119806715
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119806695
N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95975963
1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea
CID 95968508
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 122142633

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide (CID 71998958) is N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide is COCC(=O)NC(C)Cc1cc(C)cc(C)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide?
The InChIKey is KKHMAZITARWLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-11(2)7-13(6-10)8-12(3)15-14(16)9-17-4/h5-7,12H,8-9H2,1-4H3,(H,15,16).
What are the key properties of N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide?
N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide has a molecular weight of 235.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 71998958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).