[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate

C17H21ClN2O6 — CID 7711594

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC(=O)NC2CC2)cc(Cl)c1OC(C)C
InChIInChI=1S/C17H21ClN2O6/c1-9(2)26-15-12(18)6-10(7-13(15)24-3)16(22)25-8-14(21)20-17(23)19-11-4-5-11/h6-7,9,11H,4-5,8H2,1-3H3,(H2,19,20,21,23)
InChIKeyATFUMKNQXGWQQF-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.28
Rot. Bonds7

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate (PubChem CID 7711594) has the molecular formula C17H21ClN2O6 and a molecular weight of 384.82 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
PubChem CID7711594
Molecular FormulaC17H21ClN2O6
Molecular Weight384.82 g/mol
Exact Mass384.11
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC(=O)NC2CC2)cc(Cl)c1OC(C)C
InChIInChI=1S/C17H21ClN2O6/c1-9(2)26-15-12(18)6-10(7-13(15)24-3)16(22)25-8-14(21)20-17(23)19-11-4-5-11/h6-7,9,11H,4-5,8H2,1-3H3,(H2,19,20,21,23)
InChIKeyATFUMKNQXGWQQF-UHFFFAOYSA-N
XLogP2.28
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate with MolForge

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013227
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501182
[2-(2-methylpropylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711741
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7362805
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681472
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 18081808
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 18104097
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 16513424
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 7810879
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 16517088
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 16594330
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213773

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate (CID 7711594) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate is COc1cc(C(=O)OCC(=O)NC(=O)NC2CC2)cc(Cl)c1OC(C)C.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
The InChIKey is ATFUMKNQXGWQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O6/c1-9(2)26-15-12(18)6-10(7-13(15)24-3)16(22)25-8-14(21)20-17(23)19-11-4-5-11/h6-7,9,11H,4-5,8H2,1-3H3,(H2,19,20,21,23).
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate has a molecular weight of 384.82 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate is sourced from PubChem (CID 7711594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).