[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate

C19H27NO5 — CID 7487209

IUPAC[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C19H27NO5/c1-13(18(21)20(2)14-8-6-5-7-9-14)25-19(22)16-12-15(23-3)10-11-17(16)24-4/h10-14H,5-9H2,1-4H3/t13-/m1/s1
InChIKeySHQFOCPVHGWDCV-CYBMUJFWSA-N
MW349.43 g/mol
LogP3.04
Rot. Bonds6

About [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate

[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate (PubChem CID 7487209) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
PubChem CID7487209
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C19H27NO5/c1-13(18(21)20(2)14-8-6-5-7-9-14)25-19(22)16-12-15(23-3)10-11-17(16)24-4/h10-14H,5-9H2,1-4H3/t13-/m1/s1
InChIKeySHQFOCPVHGWDCV-CYBMUJFWSA-N
XLogP3.04
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] (3R)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42208379
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487392
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7859663
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 7840490
[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 42894307
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7561093
2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide
CID 112788528
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 7614757
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866894
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7899467

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate?
The IUPAC name of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate (CID 7487209) is [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate?
The canonical SMILES for [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate?
The InChIKey is SHQFOCPVHGWDCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27NO5/c1-13(18(21)20(2)14-8-6-5-7-9-14)25-19(22)16-12-15(23-3)10-11-17(16)24-4/h10-14H,5-9H2,1-4H3/t13-/m1/s1.
What are the key properties of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate?
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate has a molecular weight of 349.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 7487209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).