4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide

C23H31N3O2 — CID 46417014

IUPAC4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CN(Cc2ccc(CNC(=O)c3ccc(N(C)C)cc3)cc2)CC(C)O1
InChIInChI=1S/C23H31N3O2/c1-17-14-26(15-18(2)28-17)16-20-7-5-19(6-8-20)13-24-23(27)21-9-11-22(12-10-21)25(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,24,27)
InChIKeyBAIDBNHRKHUEBH-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.29
Rot. Bonds6

About 4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide

4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide (PubChem CID 46417014) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
PubChem CID46417014
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CN(Cc2ccc(CNC(=O)c3ccc(N(C)C)cc3)cc2)CC(C)O1
InChIInChI=1S/C23H31N3O2/c1-17-14-26(15-18(2)28-17)16-20-7-5-19(6-8-20)13-24-23(27)21-9-11-22(12-10-21)25(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,24,27)
InChIKeyBAIDBNHRKHUEBH-UHFFFAOYSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 46417255
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 51940397
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55637352
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46417237
2-[cyclopropyl(methyl)amino]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 60503915
4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide
CID 171572082
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 55624645
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid
CID 119362913

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide (CID 46417014) is 4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide is CC1CN(Cc2ccc(CNC(=O)c3ccc(N(C)C)cc3)cc2)CC(C)O1.
What is the InChIKey of 4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is BAIDBNHRKHUEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17-14-26(15-18(2)28-17)16-20-7-5-19(6-8-20)13-24-23(27)21-9-11-22(12-10-21)25(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,24,27).
What are the key properties of 4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide?
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 46417014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).