1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide

C14H20N2O3 — CID 79637537

IUPAC1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(Oc2cccc(CO)c2)C1
InChIInChI=1S/C14H20N2O3/c15-13(18)14(16)6-2-5-12(8-14)19-11-4-1-3-10(7-11)9-17/h1,3-4,7,12,17H,2,5-6,8-9,16H2,(H2,15,18)
InChIKeyQTXLTPZSGIEBJA-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.68
Rot. Bonds4

About 1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide

1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide (PubChem CID 79637537) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide
PubChem CID79637537
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(Oc2cccc(CO)c2)C1
InChIInChI=1S/C14H20N2O3/c15-13(18)14(16)6-2-5-12(8-14)19-11-4-1-3-10(7-11)9-17/h1,3-4,7,12,17H,2,5-6,8-9,16H2,(H2,15,18)
InChIKeyQTXLTPZSGIEBJA-UHFFFAOYSA-N
XLogP0.68
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[3-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79649114
3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide
CID 79648806
1-amino-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79637262
1-amino-3-(3-tert-butylphenoxy)cyclohexane-1-carboxylic acid
CID 79635261
1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide
CID 79649390
(3-cyclopropyloxyphenyl)methanol
CID 57336629
1-amino-3-(3,4-difluorophenoxy)cyclopentane-1-carboxamide
CID 79649166
1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide
CID 79637862
[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol
CID 79646018
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate
CID 79634921

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide (CID 79637537) is 1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide is NC(=O)C1(N)CCCC(Oc2cccc(CO)c2)C1.
What is the InChIKey of 1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide?
The InChIKey is QTXLTPZSGIEBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-13(18)14(16)6-2-5-12(8-14)19-11-4-1-3-10(7-11)9-17/h1,3-4,7,12,17H,2,5-6,8-9,16H2,(H2,15,18).
What are the key properties of 1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide?
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide is sourced from PubChem (CID 79637537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).