1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide

C17H26N2O2 — CID 79586493

IUPAC1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)c(C)c(OCCC2CCCC2(N)C(N)=O)c1
InChIInChI=1S/C17H26N2O2/c1-11-9-12(2)13(3)15(10-11)21-8-6-14-5-4-7-17(14,19)16(18)20/h9-10,14H,4-8,19H2,1-3H3,(H2,18,20)
InChIKeyAMXBKZBGIZUWDQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds5

About 1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 79586493) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID79586493
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)c(C)c(OCCC2CCCC2(N)C(N)=O)c1
InChIInChI=1S/C17H26N2O2/c1-11-9-12(2)13(3)15(10-11)21-8-6-14-5-4-7-17(14,19)16(18)20/h9-10,14H,4-8,19H2,1-3H3,(H2,18,20)
InChIKeyAMXBKZBGIZUWDQ-UHFFFAOYSA-N
XLogP2.36
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79588085
1-amino-2-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586482
1-amino-2-[2-(2-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586489
1-amino-2-(2-phenoxyethyl)cyclopentane-1-carboxamide
CID 79586633
1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 79587219
1-amino-2-(2-propan-2-yloxyethyl)cyclopentane-1-carboxamide
CID 79581080
1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one
CID 119378169
1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide
CID 79586651
N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
CID 111539630
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one;hydrochloride
CID 119631733
1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide
CID 79588205
1-amino-2-[2-(2-propoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 79588401

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide (CID 79586493) is 1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide is Cc1cc(C)c(C)c(OCCC2CCCC2(N)C(N)=O)c1.
What is the InChIKey of 1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is AMXBKZBGIZUWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-9-12(2)13(3)15(10-11)21-8-6-14-5-4-7-17(14,19)16(18)20/h9-10,14H,4-8,19H2,1-3H3,(H2,18,20).
What are the key properties of 1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79586493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).