N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide

C22H28N2O3 — CID 46760598

IUPACN-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C22H28N2O3/c1-6-21(25)23-19-8-7-9-20(15(19)4)24-22(26)16(5)27-18-12-10-17(11-13-18)14(2)3/h7-14,16H,6H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyLTUGIPSLLDXWEN-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.87
Rot. Bonds7

About N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 46760598) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID46760598
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C22H28N2O3/c1-6-21(25)23-19-8-7-9-20(15(19)4)24-22(26)16(5)27-18-12-10-17(11-13-18)14(2)3/h7-14,16H,6H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyLTUGIPSLLDXWEN-UHFFFAOYSA-N
XLogP4.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide
CID 46761316
N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953593
2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760646
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266130
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17354040
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 46760598) is N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide is CCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)c1C.
What is the InChIKey of N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is LTUGIPSLLDXWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-21(25)23-19-8-7-9-20(15(19)4)24-22(26)16(5)27-18-12-10-17(11-13-18)14(2)3/h7-14,16H,6H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 46760598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).