N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide

C22H28N2O2 — CID 166209237

IUPACN-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CC1CCOCC1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-17(2)24(22(25)16-18-12-14-26-15-13-18)21-10-8-20(9-11-21)23-19-6-4-3-5-7-19/h3-11,17-18,23H,12-16H2,1-2H3
InChIKeyCDPZRWMONNUXIC-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.99
Rot. Bonds6

About N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide

N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide (PubChem CID 166209237) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide
PubChem CID166209237
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CC1CCOCC1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-17(2)24(22(25)16-18-12-14-26-15-13-18)21-10-8-20(9-11-21)23-19-6-4-3-5-7-19/h3-11,17-18,23H,12-16H2,1-2H3
InChIKeyCDPZRWMONNUXIC-UHFFFAOYSA-N
XLogP4.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
2-O-[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504871
2-morpholin-4-ium-4-yl-N-phenyl-N-propan-2-ylacetamide
CID 2303532
N-(4-anilinophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
CID 16516704
2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide
CID 124565645
2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 124598335
N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
CID 112775758
3-methyl-2-[methyl-[2-(oxan-4-yl)acetyl]amino]butanoic acid
CID 110837449
[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46647116
N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
CID 16539690
N-(4-anilinophenyl)-N-propan-2-yl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55997802
N-(4-anilinophenyl)-2-(2-oxochromen-7-yl)oxy-N-propan-2-ylacetamide
CID 16504633

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide (CID 166209237) is N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide is CC(C)N(C(=O)CC1CCOCC1)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide?
The InChIKey is CDPZRWMONNUXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(2)24(22(25)16-18-12-14-26-15-13-18)21-10-8-20(9-11-21)23-19-6-4-3-5-7-19/h3-11,17-18,23H,12-16H2,1-2H3.
What are the key properties of N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide?
N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide has a molecular weight of 352.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 166209237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).