ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid

C20H23NO5 — CID 143394399

IUPACethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid
SMILESCCOC(=O)CC.O=C(O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13NO3.C5H10O2/c17-14(18)10-16-15(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11;1-3-5(6)7-4-2/h1-9H,10H2,(H,16,19)(H,17,18);3-4H2,1-2H3
InChIKeyGMSKTZOAGCZLDD-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.13
Rot. Bonds6

About ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid

ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid (PubChem CID 143394399) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Nameethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid
PubChem CID143394399
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Nameethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid
SMILESCCOC(=O)CC.O=C(O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13NO3.C5H10O2/c17-14(18)10-16-15(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11;1-3-5(6)7-4-2/h1-9H,10H2,(H,16,19)(H,17,18);3-4H2,1-2H3
InChIKeyGMSKTZOAGCZLDD-UHFFFAOYSA-N
XLogP3.13
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide
CID 18169121
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
2-benzamidoacetic acid;hydrofluoride
CID 174760685
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
CID 78788675
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl propanoate
CID 68972161

Frequently Asked Questions

What is the IUPAC name of ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid?
The IUPAC name of ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid (CID 143394399) is ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid.
What is the SMILES notation for ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid?
The canonical SMILES for ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid is CCOC(=O)CC.O=C(O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid?
The InChIKey is GMSKTZOAGCZLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3.C5H10O2/c17-14(18)10-16-15(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11;1-3-5(6)7-4-2/h1-9H,10H2,(H,16,19)(H,17,18);3-4H2,1-2H3.
What are the key properties of ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid?
ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid is sourced from PubChem (CID 143394399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).