N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide

C26H28N2O3 — CID 9297562

IUPACN-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide
SMILESCc1cccc(C)c1O[C@H](C)C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H28N2O3/c1-18-11-10-12-19(2)24(18)31-20(3)26(30)28(4)23-16-9-8-15-22(23)25(29)27-17-21-13-6-5-7-14-21/h5-16,20H,17H2,1-4H3,(H,27,29)/t20-/m1/s1
InChIKeyMVQVNFSETCHQID-HXUWFJFHSA-N
MW416.52 g/mol
LogP4.66
Rot. Bonds7

About N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide

N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide (PubChem CID 9297562) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide
PubChem CID9297562
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide
SMILESCc1cccc(C)c1O[C@H](C)C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H28N2O3/c1-18-11-10-12-19(2)24(18)31-20(3)26(30)28(4)23-16-9-8-15-22(23)25(29)27-17-21-13-6-5-7-14-21/h5-16,20H,17H2,1-4H3,(H,27,29)/t20-/m1/s1
InChIKeyMVQVNFSETCHQID-HXUWFJFHSA-N
XLogP4.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[methyl(3-phenylpropanoyl)amino]benzamide
CID 3609594
2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide
CID 4930468
N-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943560
N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide
CID 4930793
2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 46761712
N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide
CID 4941063
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide
CID 4960086
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 17151271
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3391401
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 92682909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide?
The IUPAC name of N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide (CID 9297562) is N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide.
What is the SMILES notation for N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide?
The canonical SMILES for N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide is Cc1cccc(C)c1O[C@H](C)C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide?
The InChIKey is MVQVNFSETCHQID-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18-11-10-12-19(2)24(18)31-20(3)26(30)28(4)23-16-9-8-15-22(23)25(29)27-17-21-13-6-5-7-14-21/h5-16,20H,17H2,1-4H3,(H,27,29)/t20-/m1/s1.
What are the key properties of N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide?
N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide is sourced from PubChem (CID 9297562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).