N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide

C17H25NO3 — CID 111331235

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1CC(=O)NCC1(O)CCCC1
InChIInChI=1S/C17H25NO3/c1-13(2)21-15-8-4-3-7-14(15)11-16(19)18-12-17(20)9-5-6-10-17/h3-4,7-8,13,20H,5-6,9-12H2,1-2H3,(H,18,19)
InChIKeyNHWQSWOMNWXPKM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.44
Rot. Bonds6

About N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide

N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 111331235) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide
PubChem CID111331235
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1CC(=O)NCC1(O)CCCC1
InChIInChI=1S/C17H25NO3/c1-13(2)21-15-8-4-3-7-14(15)11-16(19)18-12-17(20)9-5-6-10-17/h3-4,7-8,13,20H,5-6,9-12H2,1-2H3,(H,18,19)
InChIKeyNHWQSWOMNWXPKM-UHFFFAOYSA-N
XLogP2.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430390
N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 115668941
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide
CID 97237967
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 119404004
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide
CID 110922665
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide (CID 111331235) is N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1CC(=O)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is NHWQSWOMNWXPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)21-15-8-4-3-7-14(15)11-16(19)18-12-17(20)9-5-6-10-17/h3-4,7-8,13,20H,5-6,9-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide?
N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 111331235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).