ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate

C17H25NO3 — CID 61073689

IUPACethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)CCc1cccc(C)c1
InChIInChI=1S/C17H25NO3/c1-4-11-18(13-17(20)21-5-2)16(19)10-9-15-8-6-7-14(3)12-15/h6-8,12H,4-5,9-11,13H2,1-3H3
InChIKeyAWZMSOFNYRGCDL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.73
Rot. Bonds8

About ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate

ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate (PubChem CID 61073689) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
PubChem CID61073689
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)CCc1cccc(C)c1
InChIInChI=1S/C17H25NO3/c1-4-11-18(13-17(20)21-5-2)16(19)10-9-15-8-6-7-14(3)12-15/h6-8,12H,4-5,9-11,13H2,1-3H3
InChIKeyAWZMSOFNYRGCDL-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
CID 115257572
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
ethyl 2-[3-(3-bromophenyl)propanoyl-prop-2-enylamino]acetate
CID 79422617
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019631
ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate
CID 61011840
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
CID 61008015
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate?
The IUPAC name of ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate (CID 61073689) is ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)CCc1cccc(C)c1.
What is the InChIKey of ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate?
The InChIKey is AWZMSOFNYRGCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-11-18(13-17(20)21-5-2)16(19)10-9-15-8-6-7-14(3)12-15/h6-8,12H,4-5,9-11,13H2,1-3H3.
What are the key properties of ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate?
ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate has a molecular weight of 291.39 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate is sourced from PubChem (CID 61073689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).