N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide

C20H31NO3 — CID 133247059

IUPACN-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide
SMILESCCCOC(C)(CCC)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H31NO3/c1-4-14-20(3,23-15-5-2)19(22)21-16-10-12-18(13-11-16)24-17-8-6-7-9-17/h10-13,17H,4-9,14-15H2,1-3H3,(H,21,22)
InChIKeyCUAFRTRTOVWSAM-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.93
Rot. Bonds9

About N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide

N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide (PubChem CID 133247059) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide
PubChem CID133247059
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide
SMILESCCCOC(C)(CCC)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H31NO3/c1-4-14-20(3,23-15-5-2)19(22)21-16-10-12-18(13-11-16)24-17-8-6-7-9-17/h10-13,17H,4-9,14-15H2,1-3H3,(H,21,22)
InChIKeyCUAFRTRTOVWSAM-UHFFFAOYSA-N
XLogP4.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide
CID 100728161
N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246722
(2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide
CID 100742155
(2R)-2-methyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100739757
(2R)-N-(4-cyclopentyloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734929
(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide
CID 100739818
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247067
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 100739829
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247077
(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 100742668
2-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypentanamide
CID 133247084

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide (CID 133247059) is N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide is CCCOC(C)(CCC)C(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide?
The InChIKey is CUAFRTRTOVWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-4-14-20(3,23-15-5-2)19(22)21-16-10-12-18(13-11-16)24-17-8-6-7-9-17/h10-13,17H,4-9,14-15H2,1-3H3,(H,21,22).
What are the key properties of N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide?
N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide has a molecular weight of 333.47 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide is sourced from PubChem (CID 133247059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).