3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide

C14H20N2O3 — CID 79648806

IUPAC3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2cccc(CO)c2)C1
InChIInChI=1S/C14H20N2O3/c1-16-14(13(15)18)6-5-12(8-14)19-11-4-2-3-10(7-11)9-17/h2-4,7,12,16-17H,5-6,8-9H2,1H3,(H2,15,18)
InChIKeyYBGWFHUAMBMAJM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.55
Rot. Bonds5

About 3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide

3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79648806) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79648806
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2cccc(CO)c2)C1
InChIInChI=1S/C14H20N2O3/c1-16-14(13(15)18)6-5-12(8-14)19-11-4-2-3-10(7-11)9-17/h2-4,7,12,16-17H,5-6,8-9H2,1H3,(H2,15,18)
InChIKeyYBGWFHUAMBMAJM-UHFFFAOYSA-N
XLogP0.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol
CID 79646018
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79649114
3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637419
1-(methylamino)-3-(4-methylphenoxy)cyclopentane-1-carboxamide
CID 79648973
3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646943
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide
CID 79637537
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide
CID 79647720
ethyl 3-[4-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79646696
methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate
CID 79634921
1-(methylamino)-3-(3-methylsulfonylphenoxy)cyclopentane-1-carboxylic acid
CID 79648143
(3-cyclopropyloxyphenyl)methanol
CID 57336629
3-[4-(hydroxymethyl)phenoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79646691

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide (CID 79648806) is 3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(Oc2cccc(CO)c2)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is YBGWFHUAMBMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16-14(13(15)18)6-5-12(8-14)19-11-4-2-3-10(7-11)9-17/h2-4,7,12,16-17H,5-6,8-9H2,1H3,(H2,15,18).
What are the key properties of 3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide?
3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79648806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).