1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide

C17H26N2O2 — CID 119296010

IUPAC1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCC(C)c1ccc(OCCNC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(2)14-5-7-15(8-6-14)21-12-11-19-16(20)17(18)9-3-4-10-17/h5-8,13H,3-4,9-12,18H2,1-2H3,(H,19,20)
InChIKeyAWZWQOUTNGTEHP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds6

About 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide

1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 119296010) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID119296010
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCC(C)c1ccc(OCCNC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(2)14-5-7-15(8-6-14)21-12-11-19-16(20)17(18)9-3-4-10-17/h5-8,13H,3-4,9-12,18H2,1-2H3,(H,19,20)
InChIKeyAWZWQOUTNGTEHP-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide (CID 119296010) is 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide is CC(C)c1ccc(OCCNC(=O)C2(N)CCCC2)cc1.
What is the InChIKey of 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is AWZWQOUTNGTEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)14-5-7-15(8-6-14)21-12-11-19-16(20)17(18)9-3-4-10-17/h5-8,13H,3-4,9-12,18H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide?
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119296010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).