(2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide

C21H33NO3 — CID 100728161

IUPAC(2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H33NO3/c1-4-6-9-16-21(3,24-5-2)20(23)22-17-12-14-19(15-13-17)25-18-10-7-8-11-18/h12-15,18H,4-11,16H2,1-3H3,(H,22,23)/t21-/m0/s1
InChIKeyVTEDUNCVFXHIKP-NRFANRHFSA-N
MW347.50 g/mol
LogP5.32
Rot. Bonds10

About (2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide

(2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide (PubChem CID 100728161) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is (2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide
PubChem CID100728161
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC Name(2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H33NO3/c1-4-6-9-16-21(3,24-5-2)20(23)22-17-12-14-19(15-13-17)25-18-10-7-8-11-18/h12-15,18H,4-11,16H2,1-3H3,(H,22,23)/t21-/m0/s1
InChIKeyVTEDUNCVFXHIKP-NRFANRHFSA-N
XLogP5.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
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-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246722
N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide
CID 133247059
(2R)-N-(4-cyclopentyloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734929
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
(2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide
CID 125061140
(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
CID 100728845
(2S)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728392
(2R)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728383
(2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide
CID 100742155
(2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide
CID 100727279
(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 100742668

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide?
The IUPAC name of (2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide (CID 100728161) is (2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide.
What is the SMILES notation for (2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide?
The canonical SMILES for (2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide is CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of (2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide?
The InChIKey is VTEDUNCVFXHIKP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H33NO3/c1-4-6-9-16-21(3,24-5-2)20(23)22-17-12-14-19(15-13-17)25-18-10-7-8-11-18/h12-15,18H,4-11,16H2,1-3H3,(H,22,23)/t21-/m0/s1.
What are the key properties of (2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide?
(2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide has a molecular weight of 347.50 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide is sourced from PubChem (CID 100728161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).