N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide

C14H21NO2 — CID 142183434

IUPACN-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
SMILESCCNC(=O)Cc1ccc(COC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-15-14(16)9-12-5-7-13(8-6-12)10-17-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyBGXMAOCHMVJZMK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds6

About N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide

N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide (PubChem CID 142183434) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
PubChem CID142183434
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
SMILESCCNC(=O)Cc1ccc(COC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-15-14(16)9-12-5-7-13(8-6-12)10-17-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyBGXMAOCHMVJZMK-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
[4-(propan-2-yloxymethyl)phenyl]methyl 2-methylbutanoate
CID 70639906
N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide
CID 115700661
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071
ethane;N-ethyl-4-(propan-2-yloxymethyl)aniline
CID 176948818
2-(4-methoxyphenyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 38555944
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
N-ethyl-2-[4-(3-methylbutylamino)phenyl]acetamide
CID 43737544
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide
CID 55061167
1-ethyl-3-(2-methoxyethyl)-2-[[4-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 56801476
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55868918

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide?
The IUPAC name of N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide (CID 142183434) is N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide is CCNC(=O)Cc1ccc(COC(C)C)cc1.
What is the InChIKey of N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide?
The InChIKey is BGXMAOCHMVJZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15-14(16)9-12-5-7-13(8-6-12)10-17-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide?
N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide is sourced from PubChem (CID 142183434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).