methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate

C15H21NO5 — CID 61007489

IUPACmethyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H21NO5/c1-5-16(7-6-14(17)21-4)15(18)11-8-12(19-2)10-13(9-11)20-3/h8-10H,5-7H2,1-4H3
InChIKeyRYRDAUILDTVWKB-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.73
Rot. Bonds7

About methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate

methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate (PubChem CID 61007489) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
PubChem CID61007489
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namemethyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H21NO5/c1-5-16(7-6-14(17)21-4)15(18)11-8-12(19-2)10-13(9-11)20-3/h8-10H,5-7H2,1-4H3
InChIKeyRYRDAUILDTVWKB-UHFFFAOYSA-N
XLogP1.73
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
methyl 3-[(3-chloro-5-methylbenzoyl)-ethylamino]propanoate
CID 80973104
methyl 3-[(3,4-dimethylbenzoyl)-ethylamino]propanoate
CID 54898933
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
CID 79387015
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
CID 54898552
methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
CID 61008740
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415
methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate
CID 61011169
methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 61011016
methyl 3-[ethyl-(2,3,4,5-tetrafluorobenzoyl)amino]propanoate
CID 61007496
methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
CID 61009469

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate?
The IUPAC name of methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate (CID 61007489) is methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate is CCN(CCC(=O)OC)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate?
The InChIKey is RYRDAUILDTVWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-5-16(7-6-14(17)21-4)15(18)11-8-12(19-2)10-13(9-11)20-3/h8-10H,5-7H2,1-4H3.
What are the key properties of methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate?
methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate has a molecular weight of 295.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate is sourced from PubChem (CID 61007489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).