N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide

C22H28N2O3 — CID 46761948

IUPACN-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide
SMILESCC(=O)N(C)c1cccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-15(27-20-12-10-17(11-13-20)22(3,4)5)21(26)23-18-8-7-9-19(14-18)24(6)16(2)25/h7-15H,1-6H3,(H,23,26)
InChIKeyPYUPISQRFRXJNK-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.37
Rot. Bonds5

About N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide

N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide (PubChem CID 46761948) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide
PubChem CID46761948
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide
SMILESCC(=O)N(C)c1cccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-15(27-20-12-10-17(11-13-20)22(3,4)5)21(26)23-18-8-7-9-19(14-18)24(6)16(2)25/h7-15H,1-6H3,(H,23,26)
InChIKeyPYUPISQRFRXJNK-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide
CID 46761865
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 46761926
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 94016671
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 46778387
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754
(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
CID 9179674
N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide
CID 17198918
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 46762190
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
N-(3-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
CID 53266696

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide (CID 46761948) is N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide is CC(=O)N(C)c1cccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide?
The InChIKey is PYUPISQRFRXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(27-20-12-10-17(11-13-20)22(3,4)5)21(26)23-18-8-7-9-19(14-18)24(6)16(2)25/h7-15H,1-6H3,(H,23,26).
What are the key properties of N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide?
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 46761948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).