methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate

C15H22N2O3 — CID 62838643

IUPACmethyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate
SMILESCCNC(C)CC(=O)Nc1cccc(C(=O)OC)c1C
InChIInChI=1S/C15H22N2O3/c1-5-16-10(2)9-14(18)17-13-8-6-7-12(11(13)3)15(19)20-4/h6-8,10,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyPEBAPDJUGPGBFV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.11
Rot. Bonds6

About methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate

methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate (PubChem CID 62838643) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate
PubChem CID62838643
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate
SMILESCCNC(C)CC(=O)Nc1cccc(C(=O)OC)c1C
InChIInChI=1S/C15H22N2O3/c1-5-16-10(2)9-14(18)17-13-8-6-7-12(11(13)3)15(19)20-4/h6-8,10,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyPEBAPDJUGPGBFV-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(ethylamino)butanoylamino]benzoate
CID 62838261
methyl 2-methyl-3-(3-methylbutanoylamino)benzoate
CID 17297258
methyl 3-(3-benzamidobutanoylamino)-2-methylbenzoate
CID 134044449
N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 60663281
methyl 3-(3-chloropropanoylamino)-2-methylbenzoate
CID 43699221
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
methyl 3-(2-chloropropanoylamino)-2-methylbenzoate
CID 43699222
methyl 3-[[(2R)-2-aminopropanoyl]amino]-2-methylbenzoate
CID 54996081
methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196270
methyl 2-hydroxy-3-(3-methylbutanoylamino)benzoate
CID 108768054
methyl 2-methyl-3-[4-(methylamino)butanoylamino]benzoate
CID 54924912
5-(3-methoxycarbonyl-2-methylanilino)-5-oxopentanoate
CID 2233814

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate?
The IUPAC name of methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate (CID 62838643) is methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate is CCNC(C)CC(=O)Nc1cccc(C(=O)OC)c1C.
What is the InChIKey of methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate?
The InChIKey is PEBAPDJUGPGBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-16-10(2)9-14(18)17-13-8-6-7-12(11(13)3)15(19)20-4/h6-8,10,16H,5,9H2,1-4H3,(H,17,18).
What are the key properties of methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate?
methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate has a molecular weight of 278.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate is sourced from PubChem (CID 62838643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).