[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate

C17H24ClNO5 — CID 55401581

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
SMILESCCCOc1c(Cl)cc(C(=O)OCC(=O)N(C)C(C)C)cc1OC
InChIInChI=1S/C17H24ClNO5/c1-6-7-23-16-13(18)8-12(9-14(16)22-5)17(21)24-10-15(20)19(4)11(2)3/h8-9,11H,6-7,10H2,1-5H3
InChIKeyYVSCCZJTAUDBKC-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.16
Rot. Bonds8

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate (PubChem CID 55401581) has the molecular formula C17H24ClNO5 and a molecular weight of 357.83 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
PubChem CID55401581
Molecular FormulaC17H24ClNO5
Molecular Weight357.83 g/mol
Exact Mass357.13
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
SMILESCCCOc1c(Cl)cc(C(=O)OCC(=O)N(C)C(C)C)cc1OC
InChIInChI=1S/C17H24ClNO5/c1-6-7-23-16-13(18)8-12(9-14(16)22-5)17(21)24-10-15(20)19(4)11(2)3/h8-9,11H,6-7,10H2,1-5H3
InChIKeyYVSCCZJTAUDBKC-UHFFFAOYSA-N
XLogP3.16
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55311387
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 8510147
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 9457812
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 7684085
[2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate
CID 7684165
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-methoxybenzoate
CID 7952399
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate
CID 55310428
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-methoxybenzoate
CID 7952401
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 8578851
ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate
CID 95782335
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55311594

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate (CID 55401581) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate is CCCOc1c(Cl)cc(C(=O)OCC(=O)N(C)C(C)C)cc1OC.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
The InChIKey is YVSCCZJTAUDBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO5/c1-6-7-23-16-13(18)8-12(9-14(16)22-5)17(21)24-10-15(20)19(4)11(2)3/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate has a molecular weight of 357.83 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate is sourced from PubChem (CID 55401581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).