N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide

C21H27N3O2 — CID 78799093

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C21H27N3O2/c1-23(2)19-10-6-9-18(13-19)21(25)22-14-20-16-24(11-12-26-20)15-17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,22,25)
InChIKeyOUPPDBVAFUAEHZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.38
Rot. Bonds6

About N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide

N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide (PubChem CID 78799093) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
PubChem CID78799093
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C21H27N3O2/c1-23(2)19-10-6-9-18(13-19)21(25)22-14-20-16-24(11-12-26-20)15-17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,22,25)
InChIKeyOUPPDBVAFUAEHZ-UHFFFAOYSA-N
XLogP2.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057540
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide
CID 14881990
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide (CID 78799093) is N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide?
The InChIKey is OUPPDBVAFUAEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23(2)19-10-6-9-18(13-19)21(25)22-14-20-16-24(11-12-26-20)15-17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide?
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 78799093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).