3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide

C21H26N2O3 — CID 38556545

IUPAC3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NCc2ccccc2COC(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-15(2)26-14-19-9-5-4-8-18(19)12-22-20(24)13-23-21(25)17-10-6-7-16(3)11-17/h4-11,15H,12-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHQLOGSKULNMPNC-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.97
Rot. Bonds8

About 3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide

3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 38556545) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID38556545
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NCc2ccccc2COC(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-15(2)26-14-19-9-5-4-8-18(19)12-22-20(24)13-23-21(25)17-10-6-7-16(3)11-17/h4-11,15H,12-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHQLOGSKULNMPNC-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 38556550
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134023152
3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60516567
(E)-3-(3-methylphenyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]prop-2-enamide
CID 46585241
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
2-(4-methoxyphenyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 38555944
3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999065
3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide
CID 8733376
2-methyl-4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 80537249
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide (CID 38556545) is 3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide is Cc1cccc(C(=O)NCC(=O)NCc2ccccc2COC(C)C)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is HQLOGSKULNMPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)26-14-19-9-5-4-8-18(19)12-22-20(24)13-23-21(25)17-10-6-7-16(3)11-17/h4-11,15H,12-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 38556545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).