2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide

C25H27N3O3 — CID 163231482

IUPAC2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)CN2CCOCC2)cc1C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C25H27N3O3/c1-18-9-10-21(27-24(29)17-28-11-13-31-14-12-28)15-23(18)25(30)26-16-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,15H,11-14,16-17H2,1H3,(H,26,30)(H,27,29)
InChIKeyRKEJDIGCLVHWGK-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.35
Rot. Bonds6

About 2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide

2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide (PubChem CID 163231482) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide
PubChem CID163231482
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)CN2CCOCC2)cc1C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C25H27N3O3/c1-18-9-10-21(27-24(29)17-28-11-13-31-14-12-28)15-23(18)25(30)26-16-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,15H,11-14,16-17H2,1H3,(H,26,30)(H,27,29)
InChIKeyRKEJDIGCLVHWGK-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 30723158
N-(3-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195134
(2S)-N'-[(2-methylpropan-2-yl)oxy]-2-[(2-morpholin-4-ylacetyl)amino]-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanediamide
CID 129071788
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55495315
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide
CID 55888356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide?
The IUPAC name of 2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide (CID 163231482) is 2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide is Cc1ccc(NC(=O)CN2CCOCC2)cc1C(=O)NCc1cccc2ccccc12.
What is the InChIKey of 2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide?
The InChIKey is RKEJDIGCLVHWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18-9-10-21(27-24(29)17-28-11-13-31-14-12-28)15-23(18)25(30)26-16-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,15H,11-14,16-17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide?
2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-morpholin-4-ylacetyl)amino]-N-(naphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 163231482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).