N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide

C21H26N2O3 — CID 8991176

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-22(15-17-5-9-20(25-2)10-6-17)21(24)19-7-3-18(4-8-19)16-23-11-13-26-14-12-23/h3-10H,11-16H2,1-2H3
InChIKeyJRYAXTFKXBOJNP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.80
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide

N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 8991176) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
PubChem CID8991176
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-22(15-17-5-9-20(25-2)10-6-17)21(24)19-7-3-18(4-8-19)16-23-11-13-26-14-12-23/h3-10H,11-16H2,1-2H3
InChIKeyJRYAXTFKXBOJNP-UHFFFAOYSA-N
XLogP2.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876397
N-(4-methoxyphenyl)-4-(morpholin-4-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46957652
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 9130486
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
2-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 51327676
N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide
CID 167824432
4-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24551846
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
CID 28579988
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 26444427

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide (CID 8991176) is N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide is COc1ccc(CN(C)C(=O)c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is JRYAXTFKXBOJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-22(15-17-5-9-20(25-2)10-6-17)21(24)19-7-3-18(4-8-19)16-23-11-13-26-14-12-23/h3-10H,11-16H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 8991176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).