[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate

C19H25F2NO4 — CID 55386268

IUPAC[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCC(OC(=O)Cc1ccc(OC(F)F)cc1)C(=O)NC1CCCCC1C
InChIInChI=1S/C19H25F2NO4/c1-12-5-3-4-6-16(12)22-18(24)13(2)25-17(23)11-14-7-9-15(10-8-14)26-19(20)21/h7-10,12-13,16,19H,3-6,11H2,1-2H3,(H,22,24)
InChIKeyOZQPCDAIXLTFSF-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.46
Rot. Bonds7

About [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate

[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate (PubChem CID 55386268) has the molecular formula C19H25F2NO4 and a molecular weight of 369.41 g/mol. Its IUPAC name is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
PubChem CID55386268
Molecular FormulaC19H25F2NO4
Molecular Weight369.41 g/mol
Exact Mass369.18
IUPAC Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCC(OC(=O)Cc1ccc(OC(F)F)cc1)C(=O)NC1CCCCC1C
InChIInChI=1S/C19H25F2NO4/c1-12-5-3-4-6-16(12)22-18(24)13(2)25-17(23)11-14-7-9-15(10-8-14)26-19(20)21/h7-10,12-13,16,19H,3-6,11H2,1-2H3,(H,22,24)
InChIKeyOZQPCDAIXLTFSF-UHFFFAOYSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate with MolForge

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Related Compounds

[(2S)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 124772162
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8613214
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8527180
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996792
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013759
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 42900696
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 11920859
[(2S)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 129419153
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 40722371
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 24979821

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate?
The IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate (CID 55386268) is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate is CC(OC(=O)Cc1ccc(OC(F)F)cc1)C(=O)NC1CCCCC1C.
What is the InChIKey of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate?
The InChIKey is OZQPCDAIXLTFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO4/c1-12-5-3-4-6-16(12)22-18(24)13(2)25-17(23)11-14-7-9-15(10-8-14)26-19(20)21/h7-10,12-13,16,19H,3-6,11H2,1-2H3,(H,22,24).
What are the key properties of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate?
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate has a molecular weight of 369.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 55386268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).