N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide

C21H26N2O3 — CID 55708058

IUPACN-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
SMILESCOc1ccccc1CCC(=O)Nc1cc(NC(=O)C(C)C)ccc1C
InChIInChI=1S/C21H26N2O3/c1-14(2)21(25)22-17-11-9-15(3)18(13-17)23-20(24)12-10-16-7-5-6-8-19(16)26-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyXCIAPHWHGWEWRF-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.17
Rot. Bonds7

About N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide

N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide (PubChem CID 55708058) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
PubChem CID55708058
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
SMILESCOc1ccccc1CCC(=O)Nc1cc(NC(=O)C(C)C)ccc1C
InChIInChI=1S/C21H26N2O3/c1-14(2)21(25)22-17-11-9-15(3)18(13-17)23-20(24)12-10-16-7-5-6-8-19(16)26-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyXCIAPHWHGWEWRF-UHFFFAOYSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 46475613
N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025396
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790
N-[3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708300
2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide (CID 55708058) is N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide is COc1ccccc1CCC(=O)Nc1cc(NC(=O)C(C)C)ccc1C.
What is the InChIKey of N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is XCIAPHWHGWEWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)21(25)22-17-11-9-15(3)18(13-17)23-20(24)12-10-16-7-5-6-8-19(16)26-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide?
N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 55708058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).