3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide

C17H26N2O5 — CID 110710510

IUPAC3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N(C)CC2CN(C)CCO2)cc(OC)c1OC
InChIInChI=1S/C17H26N2O5/c1-18-6-7-24-13(10-18)11-19(2)17(20)12-8-14(21-3)16(23-5)15(9-12)22-4/h8-9,13H,6-7,10-11H2,1-5H3
InChIKeyKLKONZXAFMXTSB-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.12
Rot. Bonds6

About 3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide

3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide (PubChem CID 110710510) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
PubChem CID110710510
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N(C)CC2CN(C)CCO2)cc(OC)c1OC
InChIInChI=1S/C17H26N2O5/c1-18-6-7-24-13(10-18)11-19(2)17(20)12-8-14(21-3)16(23-5)15(9-12)22-4/h8-9,13H,6-7,10-11H2,1-5H3
InChIKeyKLKONZXAFMXTSB-UHFFFAOYSA-N
XLogP1.12
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 110710533
3-(4-methoxyphenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 110710544
2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710540
benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate
CID 110710538
2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46059623
N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99731545
4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110710600
N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060142
3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid
CID 146141590
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide
CID 110741577
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide (CID 110710510) is 3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide is COc1cc(C(=O)N(C)CC2CN(C)CCO2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The InChIKey is KLKONZXAFMXTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-18-6-7-24-13(10-18)11-19(2)17(20)12-8-14(21-3)16(23-5)15(9-12)22-4/h8-9,13H,6-7,10-11H2,1-5H3.
What are the key properties of 3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide has a molecular weight of 338.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 110710510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).