methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate

C15H22N2O3 — CID 63108513

IUPACmethyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccccc1NC(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)16-13-8-6-5-7-12(13)15(19)17(3)10-9-14(18)20-4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyKUKSCLLOXUCLDJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.14
Rot. Bonds6

About methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate

methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate (PubChem CID 63108513) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate
PubChem CID63108513
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccccc1NC(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)16-13-8-6-5-7-12(13)15(19)17(3)10-9-14(18)20-4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyKUKSCLLOXUCLDJ-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methyl-2-(propan-2-ylamino)benzamide
CID 63108038
methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108007
N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 55177472
N-(cyclopropylmethyl)-N-methyl-2-(propan-2-ylamino)benzamide
CID 55177665
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
CID 61030402
methyl 3-[(3-amino-2-methylbenzoyl)-methylamino]propanoate
CID 54997083
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106916885
N-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 61377480
methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]-methylamino]propanoate
CID 71683330
2-(ethylamino)-N-methyl-N-(3-methylbutyl)benzamide
CID 62177256
N-[2-[ethyl(methyl)amino]ethyl]-2-(propan-2-ylamino)benzamide
CID 63108506
methyl 3-[(3-amino-2-phenyl-3-sulfanylidenepropanoyl)-methylamino]propanoate
CID 62878442

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate (CID 63108513) is methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate is COC(=O)CCN(C)C(=O)c1ccccc1NC(C)C.
What is the InChIKey of methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate?
The InChIKey is KUKSCLLOXUCLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)16-13-8-6-5-7-12(13)15(19)17(3)10-9-14(18)20-4/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate?
methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate has a molecular weight of 278.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate is sourced from PubChem (CID 63108513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).