2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid

C20H28N2O5 — CID 120547769

IUPAC2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)NC(C(=O)O)C2CCCOC2)cc1
InChIInChI=1S/C20H28N2O5/c1-20(2,3)12-21-17(23)13-6-8-14(9-7-13)18(24)22-16(19(25)26)15-5-4-10-27-11-15/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyPRBTVBUTBFTEQS-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.07
Rot. Bonds6

About 2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid

2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547769) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547769
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)NC(C(=O)O)C2CCCOC2)cc1
InChIInChI=1S/C20H28N2O5/c1-20(2,3)12-21-17(23)13-6-8-14(9-7-13)18(24)22-16(19(25)26)15-5-4-10-27-11-15/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyPRBTVBUTBFTEQS-UHFFFAOYSA-N
XLogP2.07
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547563
(2R)-2-[(4-cyclobutylbenzoyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469945
2-[(4-butoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547412
2-[[4-(2-methylpropoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549072
2-[(4-cyclohexylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548745
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-[(3,4-diethoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547637
2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547837
2-(oxan-3-yl)-2-[[4-(phenoxymethyl)benzoyl]amino]acetic acid
CID 120547420
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548221
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548194

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid (CID 120547769) is 2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid is CC(C)(C)CNC(=O)c1ccc(C(=O)NC(C(=O)O)C2CCCOC2)cc1.
What is the InChIKey of 2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is PRBTVBUTBFTEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-20(2,3)12-21-17(23)13-6-8-14(9-7-13)18(24)22-16(19(25)26)15-5-4-10-27-11-15/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 376.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).