methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate

C15H21NO4 — CID 61030275

IUPACmethyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C15H21NO4/c1-11-6-5-7-13(10-11)20-12(2)15(18)16(3)9-8-14(17)19-4/h5-7,10,12H,8-9H2,1-4H3
InChIKeyOQFSCPGHTQKPTP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.78
Rot. Bonds6

About methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate

methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate (PubChem CID 61030275) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
PubChem CID61030275
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C15H21NO4/c1-11-6-5-7-13(10-11)20-12(2)15(18)16(3)9-8-14(17)19-4/h5-7,10,12H,8-9H2,1-4H3
InChIKeyOQFSCPGHTQKPTP-UHFFFAOYSA-N
XLogP1.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61006680
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 43904782
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 18104430
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 8917521
2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
CID 115772456
N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791754
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
methyl 3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoate
CID 115232585
4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
CID 43360056

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate (CID 61030275) is methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate is COC(=O)CCN(C)C(=O)C(C)Oc1cccc(C)c1.
What is the InChIKey of methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate?
The InChIKey is OQFSCPGHTQKPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-6-5-7-13(10-11)20-12(2)15(18)16(3)9-8-14(17)19-4/h5-7,10,12H,8-9H2,1-4H3.
What are the key properties of methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate?
methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate is sourced from PubChem (CID 61030275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).