N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide

C19H31N3O2 — CID 119900646

IUPACN-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
SMILESCCC(NC(=O)C(C)CNC)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H31N3O2/c1-4-17(21-19(23)15(2)12-20-3)18-14-22(10-11-24-18)13-16-8-6-5-7-9-16/h5-9,15,17-18,20H,4,10-14H2,1-3H3,(H,21,23)
InChIKeySMXLIMYCYAWUTN-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.64
Rot. Bonds8

About N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide

N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119900646) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119900646
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
SMILESCCC(NC(=O)C(C)CNC)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H31N3O2/c1-4-17(21-19(23)15(2)12-20-3)18-14-22(10-11-24-18)13-16-8-6-5-7-9-16/h5-9,15,17-18,20H,4,10-14H2,1-3H3,(H,21,23)
InChIKeySMXLIMYCYAWUTN-UHFFFAOYSA-N
XLogP1.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
CID 120613507
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 96542266
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 124588230
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 71917976
5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide
CID 120647819
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
CID 96542270
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981588
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981589

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide (CID 119900646) is N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide is CCC(NC(=O)C(C)CNC)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is SMXLIMYCYAWUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-17(21-19(23)15(2)12-20-3)18-14-22(10-11-24-18)13-16-8-6-5-7-9-16/h5-9,15,17-18,20H,4,10-14H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide?
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119900646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).