2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide

C22H27N3O3 — CID 32726719

IUPAC2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)Cc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-24(16-19-5-3-2-4-6-19)17-21(26)23-15-18-7-9-20(10-8-18)22(27)25-11-13-28-14-12-25/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyCNUWQBJUWQHEIC-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.91
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide

2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide (PubChem CID 32726719) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
PubChem CID32726719
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)Cc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-24(16-19-5-3-2-4-6-19)17-21(26)23-15-18-7-9-20(10-8-18)22(27)25-11-13-28-14-12-25/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyCNUWQBJUWQHEIC-UHFFFAOYSA-N
XLogP1.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 38180894
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 51935416
2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 86918685
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 138999092
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272477
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
CID 30257352
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide
CID 32862262
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
CID 145404555

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide (CID 32726719) is 2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide is CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
The InChIKey is CNUWQBJUWQHEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24(16-19-5-3-2-4-6-19)17-21(26)23-15-18-7-9-20(10-8-18)22(27)25-11-13-28-14-12-25/h2-10H,11-17H2,1H3,(H,23,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 32726719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).