N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C20H24N2O3 — CID 4797003

IUPACN-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1CNC(=O)C(NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C20H24N2O3/c1-14(2)18(22-19(23)15-9-5-4-6-10-15)20(24)21-13-16-11-7-8-12-17(16)25-3/h4-12,14,18H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyTUKFRWBKHSTWQD-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.77
Rot. Bonds7

About N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 4797003) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID4797003
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1CNC(=O)C(NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C20H24N2O3/c1-14(2)18(22-19(23)15-9-5-4-6-10-15)20(24)21-13-16-11-7-8-12-17(16)25-3/h4-12,14,18H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyTUKFRWBKHSTWQD-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 4797003) is N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccccc1CNC(=O)C(NC(=O)c1ccccc1)C(C)C.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is TUKFRWBKHSTWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)18(22-19(23)15-9-5-4-6-10-15)20(24)21-13-16-11-7-8-12-17(16)25-3/h4-12,14,18H,13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 4797003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).