(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol

C25H42N2O8 — CID 145114784

IUPAC(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol
SMILESCC(C)CO.CCC(=O)OC(C)CC1CCCC1.COc1ccnc(C(N)=O)c1OCOC(C)=O
InChIInChI=1S/C11H20O2.C10H12N2O5.C4H10O/c1-3-11(12)13-9(2)8-10-6-4-5-7-10;1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;1-4(2)3-5/h9-10H,3-8H2,1-2H3;3-4H,5H2,1-2H3,(H2,11,14);4-5H,3H2,1-2H3
InChIKeyLONUPFMUWVOXLC-UHFFFAOYSA-N
MW498.62 g/mol
LogP3.63
Rot. Bonds10

About (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol

(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol (PubChem CID 145114784) has the molecular formula C25H42N2O8 and a molecular weight of 498.62 g/mol. Its IUPAC name is (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol.

Molecular Properties

Compound Name(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol
PubChem CID145114784
Molecular FormulaC25H42N2O8
Molecular Weight498.62 g/mol
Exact Mass498.29
IUPAC Name(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol
SMILESCC(C)CO.CCC(=O)OC(C)CC1CCCC1.COc1ccnc(C(N)=O)c1OCOC(C)=O
InChIInChI=1S/C11H20O2.C10H12N2O5.C4H10O/c1-3-11(12)13-9(2)8-10-6-4-5-7-10;1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;1-4(2)3-5/h9-10H,3-8H2,1-2H3;3-4H,5H2,1-2H3,(H2,11,14);4-5H,3H2,1-2H3
InChIKeyLONUPFMUWVOXLC-UHFFFAOYSA-N
XLogP3.63
TPSA147.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol
CID 145114691
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate
CID 145114555
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal
CID 142237807
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-fluoro-4-methylbenzene;(4-methoxy-4-methylpentan-2-yl) propanoate
CID 145115148
1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate;(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl 2-methylpropanoate
CID 145114247
2-benzyl-1-methoxy-4-methylbenzene;(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;molecular hydrogen;[(2S)-4-propoxybutan-2-yl] propanoate
CID 145115294
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate
CID 145115673
[(1R,2S)-1-cyclopentyl-1-phenoxypropan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate
CID 121466496
4-(cyclopropylmethoxy)butan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide;1-methoxy-4-methylbenzene
CID 145115167
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane
CID 145115516
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl 2-ethoxyacetate;molecular hydrogen;[(2S)-4-phenylmethoxybutan-2-yl] propanoate;toluene
CID 145115397
[(1R,2S)-1-cyclopentyl-1-(3-methoxyphenoxy)propan-2-yl] (2R)-4-[3-(acetyloxymethoxy)-4-methoxy-2-pyridinyl]-2-methyl-4-oxobutanoate
CID 159011536

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol?
The IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol (CID 145114784) is (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol.
What is the SMILES notation for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol?
The canonical SMILES for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol is CC(C)CO.CCC(=O)OC(C)CC1CCCC1.COc1ccnc(C(N)=O)c1OCOC(C)=O.
What is the InChIKey of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol?
The InChIKey is LONUPFMUWVOXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C10H12N2O5.C4H10O/c1-3-11(12)13-9(2)8-10-6-4-5-7-10;1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;1-4(2)3-5/h9-10H,3-8H2,1-2H3;3-4H,5H2,1-2H3,(H2,11,14);4-5H,3H2,1-2H3.
What are the key properties of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol?
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol has a molecular weight of 498.62 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol is sourced from PubChem (CID 145114784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).