1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide

C16H24N2O2 — CID 79649390

IUPAC1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide
SMILESCC(C)(C)c1cccc(OC2CCC(N)(C(N)=O)C2)c1
InChIInChI=1S/C16H24N2O2/c1-15(2,3)11-5-4-6-12(9-11)20-13-7-8-16(18,10-13)14(17)19/h4-6,9,13H,7-8,10,18H2,1-3H3,(H2,17,19)
InChIKeyGWKMHKBNEHJMAZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.10
Rot. Bonds3

About 1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide

1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide (PubChem CID 79649390) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide
PubChem CID79649390
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide
SMILESCC(C)(C)c1cccc(OC2CCC(N)(C(N)=O)C2)c1
InChIInChI=1S/C16H24N2O2/c1-15(2,3)11-5-4-6-12(9-11)20-13-7-8-16(18,10-13)14(17)19/h4-6,9,13H,7-8,10,18H2,1-3H3,(H2,17,19)
InChIKeyGWKMHKBNEHJMAZ-UHFFFAOYSA-N
XLogP2.10
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(3-tert-butylphenoxy)cyclohexane-1-carboxylic acid
CID 79635261
1-amino-3-(3,4-difluorophenoxy)cyclopentane-1-carboxamide
CID 79649166
1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
CID 79648268
methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79648378
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79649114
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide
CID 79637537
1-amino-3-(2-methylphenoxy)cyclopentane-1-carboxamide
CID 79648383
1-amino-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79637262
3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide
CID 79648806
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749
(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523783

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide (CID 79649390) is 1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide is CC(C)(C)c1cccc(OC2CCC(N)(C(N)=O)C2)c1.
What is the InChIKey of 1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide?
The InChIKey is GWKMHKBNEHJMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2,3)11-5-4-6-12(9-11)20-13-7-8-16(18,10-13)14(17)19/h4-6,9,13H,7-8,10,18H2,1-3H3,(H2,17,19).
What are the key properties of 1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide?
1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79649390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).