4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide

C22H22N2O3 — CID 17454314

IUPAC4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
SMILESCOc1ccc2cc(CNC(=O)c3ccc(CNC(C)=O)cc3)ccc2c1
InChIInChI=1S/C22H22N2O3/c1-15(25)23-13-16-3-6-18(7-4-16)22(26)24-14-17-5-8-20-12-21(27-2)10-9-19(20)11-17/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGPLHNNIAOQXYDW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.41
Rot. Bonds6

About 4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide

4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide (PubChem CID 17454314) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
PubChem CID17454314
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
SMILESCOc1ccc2cc(CNC(=O)c3ccc(CNC(C)=O)cc3)ccc2c1
InChIInChI=1S/C22H22N2O3/c1-15(25)23-13-16-3-6-18(7-4-16)22(26)24-14-17-5-8-20-12-21(27-2)10-9-19(20)11-17/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGPLHNNIAOQXYDW-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-4-sulfamoylbenzamide
CID 41287032
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 41286081
4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
CID 175213138
N-[2-[(6-methoxynaphthalen-2-yl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 41255483
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide
CID 51317141

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide (CID 17454314) is 4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide is COc1ccc2cc(CNC(=O)c3ccc(CNC(C)=O)cc3)ccc2c1.
What is the InChIKey of 4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?
The InChIKey is GPLHNNIAOQXYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15(25)23-13-16-3-6-18(7-4-16)22(26)24-14-17-5-8-20-12-21(27-2)10-9-19(20)11-17/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide is sourced from PubChem (CID 17454314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).