N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C22H28N2O3 — CID 134023152

IUPACN-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOCc1ccccc1CNC(=O)C(NC(=O)c1cccc(C)c1)C(C)C
InChIInChI=1S/C22H28N2O3/c1-15(2)20(24-21(25)17-11-7-8-16(3)12-17)22(26)23-13-18-9-5-6-10-19(18)14-27-4/h5-12,15,20H,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyHTZJRQGYCBSAIL-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.21
Rot. Bonds8

About N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 134023152) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID134023152
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOCc1ccccc1CNC(=O)C(NC(=O)c1cccc(C)c1)C(C)C
InChIInChI=1S/C22H28N2O3/c1-15(2)20(24-21(25)17-11-7-8-16(3)12-17)22(26)23-13-18-9-5-6-10-19(18)14-27-4/h5-12,15,20H,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyHTZJRQGYCBSAIL-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[1-[(3-methoxy-4-propoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
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3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
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N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 134023152) is N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is COCc1ccccc1CNC(=O)C(NC(=O)c1cccc(C)c1)C(C)C.
What is the InChIKey of N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is HTZJRQGYCBSAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)20(24-21(25)17-11-7-8-16(3)12-17)22(26)23-13-18-9-5-6-10-19(18)14-27-4/h5-12,15,20H,13-14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 134023152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).