3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide

C21H26N2O2 — CID 113118397

IUPAC3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)Cc1ccccc1C
InChIInChI=1S/C21H26N2O2/c1-16-9-7-8-12-20(16)15-23(18(3)24)14-13-21(25)22-17(2)19-10-5-4-6-11-19/h4-12,17H,13-15H2,1-3H3,(H,22,25)
InChIKeyVVMJCBIFHINNMF-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.61
Rot. Bonds7

About 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide (PubChem CID 113118397) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
PubChem CID113118397
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)Cc1ccccc1C
InChIInChI=1S/C21H26N2O2/c1-16-9-7-8-12-20(16)15-23(18(3)24)14-13-21(25)22-17(2)19-10-5-4-6-11-19/h4-12,17H,13-15H2,1-3H3,(H,22,25)
InChIKeyVVMJCBIFHINNMF-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 113161382
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 113118369
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113120928
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113118495
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113121082
N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
CID 42699069
3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide
CID 113123753
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
CID 113164165
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide
CID 113161359
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide (CID 113118397) is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide is CC(=O)N(CCC(=O)NC(C)c1ccccc1)Cc1ccccc1C.
What is the InChIKey of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide?
The InChIKey is VVMJCBIFHINNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-9-7-8-12-20(16)15-23(18(3)24)14-13-21(25)22-17(2)19-10-5-4-6-11-19/h4-12,17H,13-15H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide?
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 113118397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).