N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide

C17H25NO3 — CID 100712217

IUPACN-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OCC)cc2)CCCC1
InChIInChI=1S/C17H25NO3/c1-3-13-21-17(11-5-6-12-17)16(19)18-14-7-9-15(10-8-14)20-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,18,19)
InChIKeyUGWUUUMBHRZLDV-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.76
Rot. Bonds7

About N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide

N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide (PubChem CID 100712217) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
PubChem CID100712217
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OCC)cc2)CCCC1
InChIInChI=1S/C17H25NO3/c1-3-13-21-17(11-5-6-12-17)16(19)18-14-7-9-15(10-8-14)20-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,18,19)
InChIKeyUGWUUUMBHRZLDV-UHFFFAOYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100713755
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 100713205
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729763
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 100766696
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100730652
N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1-propoxycyclopentane-1-carboxamide
CID 133246343
N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731388

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide (CID 100712217) is N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OCC)cc2)CCCC1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide?
The InChIKey is UGWUUUMBHRZLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-13-21-17(11-5-6-12-17)16(19)18-14-7-9-15(10-8-14)20-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide?
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide is sourced from PubChem (CID 100712217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).