N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide

C21H28N2O — CID 109036429

IUPACN-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1c(C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-5-23(18-11-7-6-8-12-18)20(24)14-15-22-21-17(4)10-9-13-19(21)16(2)3/h6-13,16,22H,5,14-15H2,1-4H3
InChIKeyMKFUORGIZWFTKY-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.97
Rot. Bonds7

About N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide

N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide (PubChem CID 109036429) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide
PubChem CID109036429
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1c(C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-5-23(18-11-7-6-8-12-18)20(24)14-15-22-21-17(4)10-9-13-19(21)16(2)3/h6-13,16,22H,5,14-15H2,1-4H3
InChIKeyMKFUORGIZWFTKY-UHFFFAOYSA-N
XLogP4.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(4-methylanilino)-N-phenylpropanamide
CID 109034444
3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109036517
3-(3-bromo-4-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036446
1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one
CID 109018185
N-ethyl-N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020294
3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036483
3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
CID 109036445
3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036434
N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
CID 108953169
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036498

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide?
The IUPAC name of N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide (CID 109036429) is N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide?
The canonical SMILES for N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide is CCN(C(=O)CCNc1c(C)cccc1C(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide?
The InChIKey is MKFUORGIZWFTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-5-23(18-11-7-6-8-12-18)20(24)14-15-22-21-17(4)10-9-13-19(21)16(2)3/h6-13,16,22H,5,14-15H2,1-4H3.
What are the key properties of N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide?
N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide has a molecular weight of 324.47 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide is sourced from PubChem (CID 109036429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).