N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide

C17H25NO3 — CID 100712623

IUPACN-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)c(C)c2)CCCC1
InChIInChI=1S/C17H25NO3/c1-4-11-21-17(9-5-6-10-17)16(19)18-14-7-8-15(20-3)13(2)12-14/h7-8,12H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyAQZZLZQEUPIUTH-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.68
Rot. Bonds6

About N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide

N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide (PubChem CID 100712623) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
PubChem CID100712623
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)c(C)c2)CCCC1
InChIInChI=1S/C17H25NO3/c1-4-11-21-17(9-5-6-10-17)16(19)18-14-7-8-15(20-3)13(2)12-14/h7-8,12H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyAQZZLZQEUPIUTH-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100714064
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100767379
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654
N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712883
methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 100766696
methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 133205414
N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133246423
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768372
[2-cyano-4-[(1-propoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100767323
[2-cyano-4-[(1-propoxycycloheptanecarbonyl)amino]phenyl] acetate
CID 100767545

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide (CID 100712623) is N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OC)c(C)c2)CCCC1.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide?
The InChIKey is AQZZLZQEUPIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-11-21-17(9-5-6-10-17)16(19)18-14-7-8-15(20-3)13(2)12-14/h7-8,12H,4-6,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide?
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide is sourced from PubChem (CID 100712623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).