N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

C22H29N3O4 — CID 8693130

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCOc1ccc2cc(CN(C)C(=O)CN(C)CC(=O)N3CCOCC3)ccc2c1
InChIInChI=1S/C22H29N3O4/c1-23(16-22(27)25-8-10-29-11-9-25)15-21(26)24(2)14-17-4-5-19-13-20(28-3)7-6-18(19)12-17/h4-7,12-13H,8-11,14-16H2,1-3H3
InChIKeyMYOWYCYSENPHRG-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.60
Rot. Bonds7

About N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (PubChem CID 8693130) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
PubChem CID8693130
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCOc1ccc2cc(CN(C)C(=O)CN(C)CC(=O)N3CCOCC3)ccc2c1
InChIInChI=1S/C22H29N3O4/c1-23(16-22(27)25-8-10-29-11-9-25)15-21(26)24(2)14-17-4-5-19-13-20(28-3)7-6-18(19)12-17/h4-7,12-13H,8-11,14-16H2,1-3H3
InChIKeyMYOWYCYSENPHRG-UHFFFAOYSA-N
XLogP1.60
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (CID 8693130) is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is COc1ccc2cc(CN(C)C(=O)CN(C)CC(=O)N3CCOCC3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The InChIKey is MYOWYCYSENPHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-23(16-22(27)25-8-10-29-11-9-25)15-21(26)24(2)14-17-4-5-19-13-20(28-3)7-6-18(19)12-17/h4-7,12-13H,8-11,14-16H2,1-3H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide has a molecular weight of 399.49 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 8693130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).