N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide

C21H26N2O4 — CID 86995853

IUPACN-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)C(C)NC(=O)c2cccc(C)c2)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-13-7-6-8-16(11-13)21(25)23-15(3)20(24)22-14(2)18-10-9-17(26-4)12-19(18)27-5/h6-12,14-15H,1-5H3,(H,22,24)(H,23,25)
InChIKeyQRDGCAKLTKEUSW-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.01
Rot. Bonds7

About N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 86995853) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID86995853
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)C(C)NC(=O)c2cccc(C)c2)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-13-7-6-8-16(11-13)21(25)23-15(3)20(24)22-14(2)18-10-9-17(26-4)12-19(18)27-5/h6-12,14-15H,1-5H3,(H,22,24)(H,23,25)
InChIKeyQRDGCAKLTKEUSW-UHFFFAOYSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55580663
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 134053714
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042
3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771810
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884745
N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55350949
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55579424

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide (CID 86995853) is N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide is COc1ccc(C(C)NC(=O)C(C)NC(=O)c2cccc(C)c2)c(OC)c1.
What is the InChIKey of N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is QRDGCAKLTKEUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13-7-6-8-16(11-13)21(25)23-15(3)20(24)22-14(2)18-10-9-17(26-4)12-19(18)27-5/h6-12,14-15H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 86995853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).