N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

C23H29NO3 — CID 100668241

IUPACN-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1
InChIInChI=1S/C23H29NO3/c1-3-4-17-27-21-13-9-19(10-14-21)24-22(25)23(15-5-6-16-23)18-7-11-20(26-2)12-8-18/h7-14H,3-6,15-17H2,1-2H3,(H,24,25)
InChIKeyNIRKIYZRDMUJKK-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.32
Rot. Bonds8

About N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 100668241) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID100668241
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1
InChIInChI=1S/C23H29NO3/c1-3-4-17-27-21-13-9-19(10-14-21)24-22(25)23(15-5-6-16-23)18-7-11-20(26-2)12-8-18/h7-14H,3-6,15-17H2,1-2H3,(H,24,25)
InChIKeyNIRKIYZRDMUJKK-UHFFFAOYSA-N
XLogP5.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
1-(4-propoxyphenyl)-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 23732565
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
CID 110439215
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133188335
N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668537
1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
CID 133187938
1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 125060336
N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744352
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 100668241) is N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is NIRKIYZRDMUJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-4-17-27-21-13-9-19(10-14-21)24-22(25)23(15-5-6-16-23)18-7-11-20(26-2)12-8-18/h7-14H,3-6,15-17H2,1-2H3,(H,24,25).
What are the key properties of N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100668241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).