2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide

C15H20F2N2O3 — CID 111424720

IUPAC2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide
SMILESCN(CC(=O)NCC(O)c1ccc(OC(F)F)cc1)C1CC1
InChIInChI=1S/C15H20F2N2O3/c1-19(11-4-5-11)9-14(21)18-8-13(20)10-2-6-12(7-3-10)22-15(16)17/h2-3,6-7,11,13,15,20H,4-5,8-9H2,1H3,(H,18,21)
InChIKeySOUWLTGZKNYRQU-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.53
Rot. Bonds8

About 2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide

2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide (PubChem CID 111424720) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide
PubChem CID111424720
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide
SMILESCN(CC(=O)NCC(O)c1ccc(OC(F)F)cc1)C1CC1
InChIInChI=1S/C15H20F2N2O3/c1-19(11-4-5-11)9-14(21)18-8-13(20)10-2-6-12(7-3-10)22-15(16)17/h2-3,6-7,11,13,15,20H,4-5,8-9H2,1H3,(H,18,21)
InChIKeySOUWLTGZKNYRQU-UHFFFAOYSA-N
XLogP1.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 111423733
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 111441285
1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea
CID 111424952
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 111424709
N-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 134038489
N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide
CID 110901959
2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 111829496
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
CID 111424679
2-cyclopentyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65150469
N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide
CID 78805547

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide (CID 111424720) is 2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide is CN(CC(=O)NCC(O)c1ccc(OC(F)F)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide?
The InChIKey is SOUWLTGZKNYRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-19(11-4-5-11)9-14(21)18-8-13(20)10-2-6-12(7-3-10)22-15(16)17/h2-3,6-7,11,13,15,20H,4-5,8-9H2,1H3,(H,18,21).
What are the key properties of 2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide?
2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide has a molecular weight of 314.33 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide is sourced from PubChem (CID 111424720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).