N-ethyl-3-(4-methylanilino)-N-phenylpropanamide

C18H22N2O — CID 109034444

IUPACN-ethyl-3-(4-methylanilino)-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-3-20(17-7-5-4-6-8-17)18(21)13-14-19-16-11-9-15(2)10-12-16/h4-12,19H,3,13-14H2,1-2H3
InChIKeyJXRQOKZNMIHZEA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.85
Rot. Bonds6

About N-ethyl-3-(4-methylanilino)-N-phenylpropanamide

N-ethyl-3-(4-methylanilino)-N-phenylpropanamide (PubChem CID 109034444) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-3-(4-methylanilino)-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methylanilino)-N-phenylpropanamide
PubChem CID109034444
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-ethyl-3-(4-methylanilino)-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-3-20(17-7-5-4-6-8-17)18(21)13-14-19-16-11-9-15(2)10-12-16/h4-12,19H,3,13-14H2,1-2H3
InChIKeyJXRQOKZNMIHZEA-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
CID 109036445
3-(3-bromo-4-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036446
3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036498
3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036434
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036483
N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 109036429
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243
3-(benzenesulfonamido)-N-ethyl-N-phenylpropanamide
CID 17225869
N-ethyl-N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020294
methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 109041464

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylanilino)-N-phenylpropanamide?
The IUPAC name of N-ethyl-3-(4-methylanilino)-N-phenylpropanamide (CID 109034444) is N-ethyl-3-(4-methylanilino)-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-3-(4-methylanilino)-N-phenylpropanamide?
The canonical SMILES for N-ethyl-3-(4-methylanilino)-N-phenylpropanamide is CCN(C(=O)CCNc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-3-(4-methylanilino)-N-phenylpropanamide?
The InChIKey is JXRQOKZNMIHZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-20(17-7-5-4-6-8-17)18(21)13-14-19-16-11-9-15(2)10-12-16/h4-12,19H,3,13-14H2,1-2H3.
What are the key properties of N-ethyl-3-(4-methylanilino)-N-phenylpropanamide?
N-ethyl-3-(4-methylanilino)-N-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylanilino)-N-phenylpropanamide is sourced from PubChem (CID 109034444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).