N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide

C24H32N2O2 — CID 55623499

IUPACN-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-4-5-15-26(23-9-7-6-8-10-23)24(27)22-13-11-21(12-14-22)18-25-16-19(2)28-20(3)17-25/h6-14,19-20H,4-5,15-18H2,1-3H3
InChIKeyZIUYMWOBZBSCIP-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.74
Rot. Bonds7

About N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide

N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide (PubChem CID 55623499) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide
PubChem CID55623499
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-4-5-15-26(23-9-7-6-8-10-23)24(27)22-13-11-21(12-14-22)18-25-16-19(2)28-20(3)17-25/h6-14,19-20H,4-5,15-18H2,1-3H3
InChIKeyZIUYMWOBZBSCIP-UHFFFAOYSA-N
XLogP4.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623702
N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120648106
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid
CID 119362913
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide
CID 171572082
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 124682981
(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]-methylamino]propanoic acid
CID 125151546
N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 8671308
4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide
CID 36667910
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-2-phenylethyl)benzamide
CID 60543626
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide?
The IUPAC name of N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide (CID 55623499) is N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide is CCCCN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1ccccc1.
What is the InChIKey of N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide?
The InChIKey is ZIUYMWOBZBSCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-5-15-26(23-9-7-6-8-10-23)24(27)22-13-11-21(12-14-22)18-25-16-19(2)28-20(3)17-25/h6-14,19-20H,4-5,15-18H2,1-3H3.
What are the key properties of N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide?
N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide has a molecular weight of 380.53 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 55623499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).