2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide

C21H27N3O2 — CID 60537469

IUPAC2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCc1ccccc1CNC(=O)CNc1cc(NC(=O)C(C)C)ccc1C
InChIInChI=1S/C21H27N3O2/c1-14(2)21(26)24-18-10-9-16(4)19(11-18)22-13-20(25)23-12-17-8-6-5-7-15(17)3/h5-11,14,22H,12-13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyCIWRZAGYKLWBPX-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.63
Rot. Bonds7

About 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide

2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 60537469) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
PubChem CID60537469
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCc1ccccc1CNC(=O)CNc1cc(NC(=O)C(C)C)ccc1C
InChIInChI=1S/C21H27N3O2/c1-14(2)21(26)24-18-10-9-16(4)19(11-18)22-13-20(25)23-12-17-8-6-5-7-15(17)3/h5-11,14,22H,12-13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyCIWRZAGYKLWBPX-UHFFFAOYSA-N
XLogP3.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 87029073
2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide
CID 47063867
2-methyl-N-[4-methyl-3-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 55892711
2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414
2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide
CID 112839413
2-methyl-N-[4-methyl-3-[[2-[2-[(prop-2-enoylamino)methyl]phenyl]acetyl]amino]phenyl]propanamide
CID 166421802
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
2-(5-fluoro-2-methylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31667661
2-(2,4-difluoroanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 108996706
2-methyl-N-[4-methyl-3-[[2-(prop-2-enoylamino)acetyl]amino]phenyl]propanamide
CID 166411586
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
2-methyl-N-[4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]propanamide
CID 55894238

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide (CID 60537469) is 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide is Cc1ccccc1CNC(=O)CNc1cc(NC(=O)C(C)C)ccc1C.
What is the InChIKey of 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is CIWRZAGYKLWBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)21(26)24-18-10-9-16(4)19(11-18)22-13-20(25)23-12-17-8-6-5-7-15(17)3/h5-11,14,22H,12-13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide?
2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 60537469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).