2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide

C23H31N3O2 — CID 78840464

IUPAC2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)NCc1ccccc1C
InChIInChI=1S/C23H31N3O2/c1-5-14-26(16-22(27)25-21-13-9-7-11-18(21)3)19(4)23(28)24-15-20-12-8-6-10-17(20)2/h6-13,19H,5,14-16H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyQQEXQRXBUXFTOT-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.66
Rot. Bonds9

About 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 78840464) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID78840464
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)NCc1ccccc1C
InChIInChI=1S/C23H31N3O2/c1-5-14-26(16-22(27)25-21-13-9-7-11-18(21)3)19(4)23(28)24-15-20-12-8-6-10-17(20)2/h6-13,19H,5,14-16H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyQQEXQRXBUXFTOT-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-pyrimidin-2-ylpropanamide
CID 78834668
N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78789589
N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78787959
N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78817210
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 86979728
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide
CID 120904023
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide (CID 78840464) is 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide is CCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)NCc1ccccc1C.
What is the InChIKey of 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is QQEXQRXBUXFTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-14-26(16-22(27)25-21-13-9-7-11-18(21)3)19(4)23(28)24-15-20-12-8-6-10-17(20)2/h6-13,19H,5,14-16H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide?
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 78840464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).