N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide

C19H24N2O2 — CID 112980491

IUPACN-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCCC(C)Nc1ccc(NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-15(3)20-16-7-9-17(10-8-16)21-19(22)13-23-18-11-5-14(2)6-12-18/h5-12,15,20H,4,13H2,1-3H3,(H,21,22)
InChIKeyZPJCCTMGQJMZJF-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide

N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 112980491) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID112980491
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCCC(C)Nc1ccc(NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-15(3)20-16-7-9-17(10-8-16)21-19(22)13-23-18-11-5-14(2)6-12-18/h5-12,15,20H,4,13H2,1-3H3,(H,21,22)
InChIKeyZPJCCTMGQJMZJF-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
CID 7817259
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172386
2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
CID 112502701
2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 3602002

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide (CID 112980491) is N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide is CCC(C)Nc1ccc(NC(=O)COc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is ZPJCCTMGQJMZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-15(3)20-16-7-9-17(10-8-16)21-19(22)13-23-18-11-5-14(2)6-12-18/h5-12,15,20H,4,13H2,1-3H3,(H,21,22).
What are the key properties of N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide?
N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 312.41 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 112980491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).