2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

C26H27N3O3 — CID 35603946

IUPAC2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-28(19-20-11-13-22(14-12-20)29-15-17-32-18-16-29)26(31)23-9-5-6-10-24(23)27-25(30)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,27,30)
InChIKeyJHBDAVYCHLVJKI-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.05
Rot. Bonds6

About 2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 35603946) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID35603946
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-28(19-20-11-13-22(14-12-20)29-15-17-32-18-16-29)26(31)23-9-5-6-10-24(23)27-25(30)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,27,30)
InChIKeyJHBDAVYCHLVJKI-UHFFFAOYSA-N
XLogP4.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21367636
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 34765093
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134013173
N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide
CID 24532594
N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21173543
N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134013147
N-methyl-2-morpholin-4-yl-N-[(4-phenylphenyl)methyl]pyridine-3-carboxamide
CID 46591412
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 46448346

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of 2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (CID 35603946) is 2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is JHBDAVYCHLVJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-28(19-20-11-13-22(14-12-20)29-15-17-32-18-16-29)26(31)23-9-5-6-10-24(23)27-25(30)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,27,30).
What are the key properties of 2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 35603946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).