N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide

C21H26N2O2 — CID 113054142

IUPACN-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)Cc1ccccc1C
InChIInChI=1S/C21H26N2O2/c1-17-8-6-7-11-20(17)16-23(18(2)24)15-14-22-21(25)13-12-19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3,(H,22,25)
InChIKeyKQABHSGDLXTHBH-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.09
Rot. Bonds8

About N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide

N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide (PubChem CID 113054142) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
PubChem CID113054142
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)Cc1ccccc1C
InChIInChI=1S/C21H26N2O2/c1-17-8-6-7-11-20(17)16-23(18(2)24)15-14-22-21(25)13-12-19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3,(H,22,25)
InChIKeyKQABHSGDLXTHBH-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide
CID 113052541
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113055114
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113118382
N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide
CID 166850502
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113055046
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 113118369
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide (CID 113054142) is N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide is CC(=O)N(CCNC(=O)CCc1ccccc1)Cc1ccccc1C.
What is the InChIKey of N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide?
The InChIKey is KQABHSGDLXTHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-8-6-7-11-20(17)16-23(18(2)24)15-14-22-21(25)13-12-19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide?
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113054142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).