N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide

C20H24N2O3 — CID 17354040

IUPACN-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-13(2)15-9-11-16(12-10-15)25-14(3)19(23)22-18-8-6-5-7-17(18)20(24)21-4/h5-14H,1-4H3,(H,21,24)(H,22,23)
InChIKeyBVGNFFXXZGUOES-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.58
Rot. Bonds6

About N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide

N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (PubChem CID 17354040) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
PubChem CID17354040
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-13(2)15-9-11-16(12-10-15)25-14(3)19(23)22-18-8-6-5-7-17(18)20(24)21-4/h5-14H,1-4H3,(H,21,24)(H,22,23)
InChIKeyBVGNFFXXZGUOES-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953593
2-(2-methoxypropanoylamino)-N-methylbenzamide
CID 47302363
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
2-[[(2S)-2-phenoxypropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 29448293
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 26242811
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832
N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
CID 4939976
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429
N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (CID 17354040) is N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is CNC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The InChIKey is BVGNFFXXZGUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)15-9-11-16(12-10-15)25-14(3)19(23)22-18-8-6-5-7-17(18)20(24)21-4/h5-14H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17354040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).