methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate

C15H22N2O3 — CID 47122957

IUPACmethyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)NC(C)C(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)11(3)17-14(18)9-16-13-8-6-5-7-12(13)15(19)20-4/h5-8,10-11,16H,9H2,1-4H3,(H,17,18)
InChIKeyAYXKQBDAADTYDU-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.05
Rot. Bonds6

About methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate

methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate (PubChem CID 47122957) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
PubChem CID47122957
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)NC(C)C(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)11(3)17-14(18)9-16-13-8-6-5-7-12(13)15(19)20-4/h5-8,10-11,16H,9H2,1-4H3,(H,17,18)
InChIKeyAYXKQBDAADTYDU-UHFFFAOYSA-N
XLogP2.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-(2-hydroxypropylamino)benzoate
CID 13220321
methyl 2,4-difluoro-5-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 78862242
2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60686094
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
CID 37472062
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
methyl 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471980
methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 109010077
2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60683498
methyl 4-fluoro-3-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 86930911
methyl 2-(2-methyldecylamino)benzoate
CID 3023984
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate (CID 47122957) is methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccccc1NCC(=O)NC(C)C(C)C.
What is the InChIKey of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate?
The InChIKey is AYXKQBDAADTYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)11(3)17-14(18)9-16-13-8-6-5-7-12(13)15(19)20-4/h5-8,10-11,16H,9H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate?
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate has a molecular weight of 278.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 47122957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).