N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

C17H25NO2 — CID 972977

IUPACN-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)(C)C)CCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-16(2,3)18-15(19)17(11-5-6-12-17)13-7-9-14(20-4)10-8-13/h7-10H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyOCGDXLGOKKNNAB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.42
Rot. Bonds3

About N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 972977) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID972977
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)(C)C)CCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-16(2,3)18-15(19)17(11-5-6-12-17)13-7-9-14(20-4)10-8-13/h7-10H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyOCGDXLGOKKNNAB-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Methoxyphenyl)acetamide
CID 241868
2,5-Pyrrolidinedione, 3-(4-(1-methylethoxy)phenyl)-
CID 214258
N-(2-(4-methoxyphenyl)ethyl)pentanamide
CID 1769471
N-(2-(1-Cyclohexen-1-yl)ethyl)-4-methoxybenzeneacetamide
CID 703658
2-(4-methoxyphenyl)-N-pentylacetamide
CID 653397
N-(4-methoxyphenethyl)oleamide
CID 44406075
N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 729989
3,4-Bis(4-methoxyphenyl)pyrrole-2,5-dione
CID 10946795
N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutanamide
CID 885698
1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentanecarboxamide
CID 976659
4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 1716197
4-(4-methoxy-2-methylphenyl)-N-(2-phenylethyl)butanamide
CID 4448752

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 972977) is N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)NC(C)(C)C)CCCC2)cc1.
What is the InChIKey of N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is OCGDXLGOKKNNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2,3)18-15(19)17(11-5-6-12-17)13-7-9-14(20-4)10-8-13/h7-10H,5-6,11-12H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 972977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).