N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide

C19H30N2O3 — CID 110016955

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
SMILESCCOCc1ccc(CNC(=O)CN2C(C)CCCC2CO)cc1
InChIInChI=1S/C19H30N2O3/c1-3-24-14-17-9-7-16(8-10-17)11-20-19(23)12-21-15(2)5-4-6-18(21)13-22/h7-10,15,18,22H,3-6,11-14H2,1-2H3,(H,20,23)
InChIKeyGZHOSLOJGYREKZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.07
Rot. Bonds8

About N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide

N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide (PubChem CID 110016955) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
PubChem CID110016955
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
SMILESCCOCc1ccc(CNC(=O)CN2C(C)CCCC2CO)cc1
InChIInChI=1S/C19H30N2O3/c1-3-24-14-17-9-7-16(8-10-17)11-20-19(23)12-21-15(2)5-4-6-18(21)13-22/h7-10,15,18,22H,3-6,11-14H2,1-2H3,(H,20,23)
InChIKeyGZHOSLOJGYREKZ-UHFFFAOYSA-N
XLogP2.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 87012423
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
CID 110016919
2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 96549660
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 110921460
N-hexyl-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
CID 110017014
N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014006
N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 87017442
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 110921436
2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110016946
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
trans-(1S,2S)-2-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119381
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921510

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide (CID 110016955) is N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide is CCOCc1ccc(CNC(=O)CN2C(C)CCCC2CO)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide?
The InChIKey is GZHOSLOJGYREKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-24-14-17-9-7-16(8-10-17)11-20-19(23)12-21-15(2)5-4-6-18(21)13-22/h7-10,15,18,22H,3-6,11-14H2,1-2H3,(H,20,23).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 110016955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).