ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate

C17H25NO4 — CID 70913564

IUPACethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cccc(C(C)(O)C(C)C)c1
InChIInChI=1S/C17H25NO4/c1-5-22-15(19)9-10-18-16(20)13-7-6-8-14(11-13)17(4,21)12(2)3/h6-8,11-12,21H,5,9-10H2,1-4H3,(H,18,20)
InChIKeyOQDSVEHGENLNPV-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.23
Rot. Bonds7

About ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate

ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate (PubChem CID 70913564) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate
PubChem CID70913564
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nameethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cccc(C(C)(O)C(C)C)c1
InChIInChI=1S/C17H25NO4/c1-5-22-15(19)9-10-18-16(20)13-7-6-8-14(11-13)17(4,21)12(2)3/h6-8,11-12,21H,5,9-10H2,1-4H3,(H,18,20)
InChIKeyOQDSVEHGENLNPV-UHFFFAOYSA-N
XLogP2.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(4-bromo-3-hydroxybenzoyl)amino]propanoate
CID 103830570
ethyl 4-[[3-(bromomethyl)benzoyl]amino]butanoate
CID 59127058
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680
ethyl 3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 115283275
nonyl 3-[(3-methylbenzoyl)amino]propanoate
CID 91710771
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827795
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
CID 110486052

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate?
The IUPAC name of ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate (CID 70913564) is ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate is CCOC(=O)CCNC(=O)c1cccc(C(C)(O)C(C)C)c1.
What is the InChIKey of ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate?
The InChIKey is OQDSVEHGENLNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-5-22-15(19)9-10-18-16(20)13-7-6-8-14(11-13)17(4,21)12(2)3/h6-8,11-12,21H,5,9-10H2,1-4H3,(H,18,20).
What are the key properties of ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate?
ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate has a molecular weight of 307.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(2-hydroxy-3-methylbutan-2-yl)benzoyl]amino]propanoate is sourced from PubChem (CID 70913564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).