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

C11H23N3O2 — CID 115889192

IUPACN-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide
SMILESCNC(=O)CC(C)NCC1CN(C)CCO1
InChIInChI=1S/C11H23N3O2/c1-9(6-11(15)12-2)13-7-10-8-14(3)4-5-16-10/h9-10,13H,4-8H2,1-3H3,(H,12,15)
InChIKeyRDUOZVJMAJZUAZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.57
Rot. Bonds5

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

N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide (PubChem CID 115889192) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide.

Molecular Properties

Compound NameN-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide
PubChem CID115889192
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide
SMILESCNC(=O)CC(C)NCC1CN(C)CCO1
InChIInChI=1S/C11H23N3O2/c1-9(6-11(15)12-2)13-7-10-8-14(3)4-5-16-10/h9-10,13H,4-8H2,1-3H3,(H,12,15)
InChIKeyRDUOZVJMAJZUAZ-UHFFFAOYSA-N
XLogP-0.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945377
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
2-[(4-methylmorpholin-2-yl)methylamino]propan-1-ol
CID 78945058
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
(2S)-4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pentan-2-amine
CID 97045041
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 75356159
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one
CID 95302737
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
(2R)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95293289
(1S)-1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 97045036
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide?
The IUPAC name of N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide (CID 115889192) is N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide.
What is the SMILES notation for N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide?
The canonical SMILES for N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide is CNC(=O)CC(C)NCC1CN(C)CCO1.
What is the InChIKey of N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide?
The InChIKey is RDUOZVJMAJZUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(6-11(15)12-2)13-7-10-8-14(3)4-5-16-10/h9-10,13H,4-8H2,1-3H3,(H,12,15).
What are the key properties of N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide?
N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide has a molecular weight of 229.32 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide is sourced from PubChem (CID 115889192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).