2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide

C20H31N3O3 — CID 47900404

IUPAC2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide
SMILESCCC(C)C(=O)NCC(=O)NCc1cccc(CN2CCOC(C)C2)c1
InChIInChI=1S/C20H31N3O3/c1-4-15(2)20(25)22-12-19(24)21-11-17-6-5-7-18(10-17)14-23-8-9-26-16(3)13-23/h5-7,10,15-16H,4,8-9,11-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyHQJOZMNGACFLJQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.69
Rot. Bonds8

About 2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide

2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide (PubChem CID 47900404) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide
PubChem CID47900404
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide
SMILESCCC(C)C(=O)NCC(=O)NCc1cccc(CN2CCOC(C)C2)c1
InChIInChI=1S/C20H31N3O3/c1-4-15(2)20(25)22-12-19(24)21-11-17-6-5-7-18(10-17)14-23-8-9-26-16(3)13-23/h5-7,10,15-16H,4,8-9,11-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyHQJOZMNGACFLJQ-UHFFFAOYSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 47900151
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 47900135
3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119864258
(Z)-2-methyl-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]pent-2-enamide
CID 94820446
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552754
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119864272
4,4-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pent-2-enamide
CID 72689925
N-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 47899556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide (CID 47900404) is 2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide is CCC(C)C(=O)NCC(=O)NCc1cccc(CN2CCOC(C)C2)c1.
What is the InChIKey of 2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide?
The InChIKey is HQJOZMNGACFLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-15(2)20(25)22-12-19(24)21-11-17-6-5-7-18(10-17)14-23-8-9-26-16(3)13-23/h5-7,10,15-16H,4,8-9,11-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide?
2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide has a molecular weight of 361.49 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 47900404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).