propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate

C14H19NO4 — CID 82316640

IUPACpropan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate
SMILESCOC(=O)CCNc1cccc(C(=O)OC(C)C)c1
InChIInChI=1S/C14H19NO4/c1-10(2)19-14(17)11-5-4-6-12(9-11)15-8-7-13(16)18-3/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyNPYFBFUEUDTRSX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.23
Rot. Bonds6

About propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate

propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate (PubChem CID 82316640) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate
PubChem CID82316640
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namepropan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate
SMILESCOC(=O)CCNc1cccc(C(=O)OC(C)C)c1
InChIInChI=1S/C14H19NO4/c1-10(2)19-14(17)11-5-4-6-12(9-11)15-8-7-13(16)18-3/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyNPYFBFUEUDTRSX-UHFFFAOYSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 3-(carbamothioylamino)benzoate
CID 82030676
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
[3-[(3-methoxy-3-oxopropyl)amino]phenyl]boronic acid
CID 131875186
methyl 3-[3-(dimethylamino)anilino]propanoate
CID 80504001
methyl 3-[3-(trifluoromethyl)anilino]propanoate
CID 43365338
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
propan-2-yl 3-[(2-phenylacetyl)amino]benzoate
CID 23905172
methyl 3-[(4-amino-3-methylbutyl)amino]benzoate
CID 114987360
methyl 3-[[3-(diethylamino)-3-oxopropyl]amino]benzoate
CID 109030650
methyl 3-(3-cyanoanilino)propanoate;hydrochloride
CID 69208623
methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702
methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate
CID 109033062

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate?
The IUPAC name of propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate (CID 82316640) is propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate?
The canonical SMILES for propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate is COC(=O)CCNc1cccc(C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate?
The InChIKey is NPYFBFUEUDTRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)19-14(17)11-5-4-6-12(9-11)15-8-7-13(16)18-3/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate?
propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate has a molecular weight of 265.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(3-methoxy-3-oxopropyl)amino]benzoate is sourced from PubChem (CID 82316640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).