(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid

C20H23NO5 — CID 119372647

IUPAC(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
SMILESCCCOc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1OCC
InChIInChI=1S/C20H23NO5/c1-3-12-26-16-11-10-15(13-17(16)25-4-2)19(22)21-18(20(23)24)14-8-6-5-7-9-14/h5-11,13,18H,3-4,12H2,1-2H3,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyNDSNXCNTCOSPLI-SFHVURJKSA-N
MW357.41 g/mol
LogP3.43
Rot. Bonds9

About (2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid

(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid (PubChem CID 119372647) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
PubChem CID119372647
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
SMILESCCCOc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1OCC
InChIInChI=1S/C20H23NO5/c1-3-12-26-16-11-10-15(13-17(16)25-4-2)19(22)21-18(20(23)24)14-8-6-5-7-9-14/h5-11,13,18H,3-4,12H2,1-2H3,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyNDSNXCNTCOSPLI-SFHVURJKSA-N
XLogP3.43
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide
CID 119528578
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride
CID 119528577
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
3-[(3,4-dipropoxybenzoyl)amino]butanoic acid
CID 119220905
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 42975825
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid
CID 110496617
3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide
CID 26011119

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid (CID 119372647) is (2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid is CCCOc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1OCC.
What is the InChIKey of (2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid?
The InChIKey is NDSNXCNTCOSPLI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-12-26-16-11-10-15(13-17(16)25-4-2)19(22)21-18(20(23)24)14-8-6-5-7-9-14/h5-11,13,18H,3-4,12H2,1-2H3,(H,21,22)(H,23,24)/t18-/m0/s1.
What are the key properties of (2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid has a molecular weight of 357.41 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 119372647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).