N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide

C21H26N2O4 — CID 17480503

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C21H26N2O4/c1-25-18-10-17(11-19(12-18)26-2)21(24)22-13-20-15-23(8-9-27-20)14-16-6-4-3-5-7-16/h3-7,10-12,20H,8-9,13-15H2,1-2H3,(H,22,24)
InChIKeyBAIYQYBEOPPHGN-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.33
Rot. Bonds7

About N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide

N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide (PubChem CID 17480503) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
PubChem CID17480503
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C21H26N2O4/c1-25-18-10-17(11-19(12-18)26-2)21(24)22-13-20-15-23(8-9-27-20)14-16-6-4-3-5-7-16/h3-7,10-12,20H,8-9,13-15H2,1-2H3,(H,22,24)
InChIKeyBAIYQYBEOPPHGN-UHFFFAOYSA-N
XLogP2.33
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 31719529
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8504022
N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55740410
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27809533

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide (CID 17480503) is N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is BAIYQYBEOPPHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-18-10-17(11-19(12-18)26-2)21(24)22-13-20-15-23(8-9-27-20)14-16-6-4-3-5-7-16/h3-7,10-12,20H,8-9,13-15H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide?
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17480503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).