1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide

C17H25NO3 — CID 100729464

IUPAC1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCC1
InChIInChI=1S/C17H25NO3/c1-4-20-17(11-5-6-12-17)16(19)18-14-7-9-15(10-8-14)21-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyJFBPBECTUQKCDR-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.76
Rot. Bonds6

About 1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide

1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide (PubChem CID 100729464) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
PubChem CID100729464
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCC1
InChIInChI=1S/C17H25NO3/c1-4-20-17(11-5-6-12-17)16(19)18-14-7-9-15(10-8-14)21-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyJFBPBECTUQKCDR-UHFFFAOYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide (CID 100729464) is 1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide is CCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCC1.
What is the InChIKey of 1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is JFBPBECTUQKCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-20-17(11-5-6-12-17)16(19)18-14-7-9-15(10-8-14)21-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19).
What are the key properties of 1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide?
1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100729464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).