(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid

C19H21NO4 — CID 119367835

IUPAC(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid
SMILESCCC(C)Oc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-13(2)24-16-11-9-15(10-12-16)18(21)20-17(19(22)23)14-7-5-4-6-8-14/h4-13,17H,3H2,1-2H3,(H,20,21)(H,22,23)/t13?,17-/m1/s1
InChIKeySPGRVWKDJQAUHN-LRHAYUFXSA-N
MW327.38 g/mol
LogP3.42
Rot. Bonds7

About (2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid

(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid (PubChem CID 119367835) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid
PubChem CID119367835
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid
SMILESCCC(C)Oc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-13(2)24-16-11-9-15(10-12-16)18(21)20-17(19(22)23)14-7-5-4-6-8-14/h4-13,17H,3H2,1-2H3,(H,20,21)(H,22,23)/t13?,17-/m1/s1
InChIKeySPGRVWKDJQAUHN-LRHAYUFXSA-N
XLogP3.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid
CID 119367704
2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17141286
4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
CID 17141392
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324
4-butan-2-yloxybenzoic acid
CID 5132695
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N-(benzamidocarbamothioyl)-4-butan-2-yloxybenzamide
CID 17141736
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654055
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid (CID 119367835) is (2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid is CCC(C)Oc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid?
The InChIKey is SPGRVWKDJQAUHN-LRHAYUFXSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-13(2)24-16-11-9-15(10-12-16)18(21)20-17(19(22)23)14-7-5-4-6-8-14/h4-13,17H,3H2,1-2H3,(H,20,21)(H,22,23)/t13?,17-/m1/s1.
What are the key properties of (2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid?
(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid has a molecular weight of 327.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 119367835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).