(2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide

C22H35NO3 — CID 100742155

IUPAC(2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide
SMILESCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1
InChIInChI=1S/C22H35NO3/c1-5-7-14-22(4,25-15-6-2)21(24)23-18-12-13-20(17(3)16-18)26-19-10-8-9-11-19/h12-13,16,19H,5-11,14-15H2,1-4H3,(H,23,24)/t22-/m0/s1
InChIKeyTYURRBKBFHTFGT-QFIPXVFZSA-N
MW361.53 g/mol
LogP5.63
Rot. Bonds10

About (2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide

(2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide (PubChem CID 100742155) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is (2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide
PubChem CID100742155
Molecular FormulaC22H35NO3
Molecular Weight361.53 g/mol
Exact Mass361.26
IUPAC Name(2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide
SMILESCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1
InChIInChI=1S/C22H35NO3/c1-5-7-14-22(4,25-15-6-2)21(24)23-18-12-13-20(17(3)16-18)26-19-10-8-9-11-19/h12-13,16,19H,5-11,14-15H2,1-4H3,(H,23,24)/t22-/m0/s1
InChIKeyTYURRBKBFHTFGT-QFIPXVFZSA-N
XLogP5.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide
CID 133247059
2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
CID 133246325
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
CID 133254721
(2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide
CID 100728161
N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246722
methyl 2-methoxy-5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]benzoate
CID 100765762
methyl 2-butoxy-5-[(2-methyl-2-propoxyhexanoyl)amino]benzoate
CID 133205347
(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 100727452
(2R)-N-(4-cyclopentyloxy-3-methylphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100709664
methyl 5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]-2-propoxybenzoate
CID 100765782
(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766204

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide?
The IUPAC name of (2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide (CID 100742155) is (2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide.
What is the SMILES notation for (2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide?
The canonical SMILES for (2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide is CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1.
What is the InChIKey of (2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide?
The InChIKey is TYURRBKBFHTFGT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H35NO3/c1-5-7-14-22(4,25-15-6-2)21(24)23-18-12-13-20(17(3)16-18)26-19-10-8-9-11-19/h12-13,16,19H,5-11,14-15H2,1-4H3,(H,23,24)/t22-/m0/s1.
What are the key properties of (2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide?
(2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide has a molecular weight of 361.53 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide is sourced from PubChem (CID 100742155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).