(2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide

C18H27NO3 — CID 100709750

IUPAC(2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide
SMILESCCCOc1c(C)cc(NC(=O)[C@@](C)(OC)C2CC2)cc1C
InChIInChI=1S/C18H27NO3/c1-6-9-22-16-12(2)10-15(11-13(16)3)19-17(20)18(4,21-5)14-7-8-14/h10-11,14H,6-9H2,1-5H3,(H,19,20)/t18-/m0/s1
InChIKeyYMOUOSCKRGFGQN-SFHVURJKSA-N
MW305.42 g/mol
LogP3.85
Rot. Bonds7

About (2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide

(2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide (PubChem CID 100709750) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide
PubChem CID100709750
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide
SMILESCCCOc1c(C)cc(NC(=O)[C@@](C)(OC)C2CC2)cc1C
InChIInChI=1S/C18H27NO3/c1-6-9-22-16-12(2)10-15(11-13(16)3)19-17(20)18(4,21-5)14-7-8-14/h10-11,14H,6-9H2,1-5H3,(H,19,20)/t18-/m0/s1
InChIKeyYMOUOSCKRGFGQN-SFHVURJKSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide
CID 100718308
2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 133246250
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-cyclopropyl-2-methoxypropanamide
CID 100775841
(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide
CID 100778809
(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100758079
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
(2R)-N-(4-cyclopentyloxy-3-methylphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100709664
methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate
CID 133229936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide?
The IUPAC name of (2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide (CID 100709750) is (2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide.
What is the SMILES notation for (2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide?
The canonical SMILES for (2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide is CCCOc1c(C)cc(NC(=O)[C@@](C)(OC)C2CC2)cc1C.
What is the InChIKey of (2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide?
The InChIKey is YMOUOSCKRGFGQN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27NO3/c1-6-9-22-16-12(2)10-15(11-13(16)3)19-17(20)18(4,21-5)14-7-8-14/h10-11,14H,6-9H2,1-5H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide?
(2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide has a molecular weight of 305.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide is sourced from PubChem (CID 100709750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).