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

C23H30N2O3 — CID 46760646

IUPAC2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccccc2C(C)CC)c1C
InChIInChI=1S/C23H30N2O3/c1-6-15(3)18-11-8-9-14-21(18)28-17(5)23(27)25-20-13-10-12-19(16(20)4)24-22(26)7-2/h8-15,17H,6-7H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyMTELXHJBCLCFIU-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.26
Rot. Bonds8

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

2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide (PubChem CID 46760646) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
PubChem CID46760646
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccccc2C(C)CC)c1C
InChIInChI=1S/C23H30N2O3/c1-6-15(3)18-11-8-9-14-21(18)28-17(5)23(27)25-20-13-10-12-19(16(20)4)24-22(26)7-2/h8-15,17H,6-7H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyMTELXHJBCLCFIU-UHFFFAOYSA-N
XLogP5.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 17129881
N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide
CID 46735872
2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 46760567
N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 46760598
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
CID 40736855
2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide
CID 17150644
3-[[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-2-methylbenzoic acid
CID 892447

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide (CID 46760646) is 2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccccc2C(C)CC)c1C.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide?
The InChIKey is MTELXHJBCLCFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-15(3)18-11-8-9-14-21(18)28-17(5)23(27)25-20-13-10-12-19(16(20)4)24-22(26)7-2/h8-15,17H,6-7H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide?
2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide has a molecular weight of 382.50 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 46760646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).