N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide

C23H24N2O3 — CID 51317181

IUPACN-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide
SMILESCOc1ccc2cc(CNC(=O)CC(C)NC(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C23H24N2O3/c1-16(25-23(27)18-6-4-3-5-7-18)12-22(26)24-15-17-8-9-20-14-21(28-2)11-10-19(20)13-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLVKXCMDSKHJDCO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.67
Rot. Bonds7

About N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide

N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide (PubChem CID 51317181) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide
PubChem CID51317181
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide
SMILESCOc1ccc2cc(CNC(=O)CC(C)NC(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C23H24N2O3/c1-16(25-23(27)18-6-4-3-5-7-18)12-22(26)24-15-17-8-9-20-14-21(28-2)11-10-19(20)13-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLVKXCMDSKHJDCO-UHFFFAOYSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280
N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide
CID 134029595
4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
CID 175213138
N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide
CID 51194801
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
2-(2-fluorophenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 51317159
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
methyl 3-(3-benzamidobutanoylamino)propanoate
CID 134049234
4-bromo-N-[(2S)-1-[(6-methoxynaphthalen-2-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 41286103
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051458
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide (CID 51317181) is N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide is COc1ccc2cc(CNC(=O)CC(C)NC(=O)c3ccccc3)ccc2c1.
What is the InChIKey of N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide?
The InChIKey is LVKXCMDSKHJDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16(25-23(27)18-6-4-3-5-7-18)12-22(26)24-15-17-8-9-20-14-21(28-2)11-10-19(20)13-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide?
N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51317181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).