(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane

C25H36N2O7 — CID 145115516

IUPAC(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane
SMILESCCC.CCC(=O)OCC(C)Oc1ccc(C)cc1.COc1ccnc(C(N)=O)c1OC(C)=O
InChIInChI=1S/C13H18O3.C9H10N2O4.C3H8/c1-4-13(14)15-9-11(3)16-12-7-5-10(2)6-8-12;1-5(12)15-8-6(14-2)3-4-11-7(8)9(10)13;1-3-2/h5-8,11H,4,9H2,1-3H3;3-4H,1-2H3,(H2,10,13);3H2,1-2H3
InChIKeyZMJFRSSNXYWFRV-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.25
Rot. Bonds8

About (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane

(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane (PubChem CID 145115516) has the molecular formula C25H36N2O7 and a molecular weight of 476.57 g/mol. Its IUPAC name is (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane.

Molecular Properties

Compound Name(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane
PubChem CID145115516
Molecular FormulaC25H36N2O7
Molecular Weight476.57 g/mol
Exact Mass476.25
IUPAC Name(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane
SMILESCCC.CCC(=O)OCC(C)Oc1ccc(C)cc1.COc1ccnc(C(N)=O)c1OC(C)=O
InChIInChI=1S/C13H18O3.C9H10N2O4.C3H8/c1-4-13(14)15-9-11(3)16-12-7-5-10(2)6-8-12;1-5(12)15-8-6(14-2)3-4-11-7(8)9(10)13;1-3-2/h5-8,11H,4,9H2,1-3H3;3-4H,1-2H3,(H2,10,13);3H2,1-2H3
InChIKeyZMJFRSSNXYWFRV-UHFFFAOYSA-N
XLogP4.25
TPSA127.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methylphenoxy)propyl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate;propane
CID 142299007
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-fluoro-3-methylbenzene;1-(4-fluorophenyl)propan-2-yl propanoate
CID 145114250
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-fluoro-4-methylbenzene;(4-methoxy-4-methylpentan-2-yl) propanoate
CID 145115148
[(2S,3R)-3-(4-methylphenoxy)hexan-2-yl] (2R)-4-(3-acetyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-sulfanylidenebutanoate
CID 152789231
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;[3-(2,4-dichlorophenoxy)-4-ethylhexan-2-yl] propanoate
CID 145114524
[5-ethoxy-4-(4-methylphenoxy)pentan-2-yl] propanoate;1-fluoro-4-methylbenzene;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115246
4-(cyclopropylmethoxy)butan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide;1-methoxy-4-methylbenzene
CID 145115167
(2-acetyl-4-methoxy-3-pyridinyl) acetate
CID 58914368
[(2S)-1-propoxypropan-2-yl] (2R)-4-(3-acetyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 147944029
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol
CID 145114691
[(2S,3R)-4-ethyl-3-(4-phenylphenoxy)hexan-2-yl] (2R)-4-(3-acetyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 157083794
[2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate
CID 166705848

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane?
The IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane (CID 145115516) is (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane.
What is the SMILES notation for (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane?
The canonical SMILES for (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane is CCC.CCC(=O)OCC(C)Oc1ccc(C)cc1.COc1ccnc(C(N)=O)c1OC(C)=O.
What is the InChIKey of (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane?
The InChIKey is ZMJFRSSNXYWFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3.C9H10N2O4.C3H8/c1-4-13(14)15-9-11(3)16-12-7-5-10(2)6-8-12;1-5(12)15-8-6(14-2)3-4-11-7(8)9(10)13;1-3-2/h5-8,11H,4,9H2,1-3H3;3-4H,1-2H3,(H2,10,13);3H2,1-2H3.
What are the key properties of (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane?
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane has a molecular weight of 476.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane is sourced from PubChem (CID 145115516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).