2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide

C20H24N2O3 — CID 42898417

IUPAC2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCC(C)c1ccc(NC(=O)C(C)Oc2ccccc2C(N)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-4-13(2)15-9-11-16(12-10-15)22-20(24)14(3)25-18-8-6-5-7-17(18)19(21)23/h5-14H,4H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyLSZWGOLDSKFXGU-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.70
Rot. Bonds7

About 2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide

2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 42898417) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID42898417
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCC(C)c1ccc(NC(=O)C(C)Oc2ccccc2C(N)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-4-13(2)15-9-11-16(12-10-15)22-20(24)14(3)25-18-8-6-5-7-17(18)19(21)23/h5-14H,4H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyLSZWGOLDSKFXGU-UHFFFAOYSA-N
XLogP3.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide
CID 17433977
(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
CID 7935749
N-(4-butan-2-ylphenyl)-2-ethoxybenzamide
CID 2852282
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242
2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980806
4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 4943131
2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 43702131
(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 104897241
(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
CID 26561785
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide (CID 42898417) is 2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide is CCC(C)c1ccc(NC(=O)C(C)Oc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is LSZWGOLDSKFXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-13(2)15-9-11-16(12-10-15)22-20(24)14(3)25-18-8-6-5-7-17(18)19(21)23/h5-14H,4H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of 2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide?
2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 42898417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).