2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide

C18H27NO3 — CID 133246250

IUPAC2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide
SMILESCOC(C)(C(=O)Nc1cc(C)c(OC(C)C)c(C)c1)C1CC1
InChIInChI=1S/C18H27NO3/c1-11(2)22-16-12(3)9-15(10-13(16)4)19-17(20)18(5,21-6)14-7-8-14/h9-11,14H,7-8H2,1-6H3,(H,19,20)
InChIKeyJZCFPJKIRMIZQH-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.84
Rot. Bonds6

About 2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide

2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide (PubChem CID 133246250) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide
PubChem CID133246250
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide
SMILESCOC(C)(C(=O)Nc1cc(C)c(OC(C)C)c(C)c1)C1CC1
InChIInChI=1S/C18H27NO3/c1-11(2)22-16-12(3)9-15(10-13(16)4)19-17(20)18(5,21-6)14-7-8-14/h9-11,14H,7-8H2,1-6H3,(H,19,20)
InChIKeyJZCFPJKIRMIZQH-UHFFFAOYSA-N
XLogP3.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide
CID 100709750
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698179
(2R)-N-(4-cyclopentyloxy-3-methylphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100709664
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722558
(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722553
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100725343
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-cyclopropyl-2-methoxypropanamide
CID 100775841
(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide
CID 100718308
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100696366
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705167
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-ethoxy-2-methylpropanamide
CID 133246270
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide?
The IUPAC name of 2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide (CID 133246250) is 2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide.
What is the SMILES notation for 2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide?
The canonical SMILES for 2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide is COC(C)(C(=O)Nc1cc(C)c(OC(C)C)c(C)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide?
The InChIKey is JZCFPJKIRMIZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-11(2)22-16-12(3)9-15(10-13(16)4)19-17(20)18(5,21-6)14-7-8-14/h9-11,14H,7-8H2,1-6H3,(H,19,20).
What are the key properties of 2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide?
2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide has a molecular weight of 305.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide is sourced from PubChem (CID 133246250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).