N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide

C20H31N3O3 — CID 133148925

IUPACN-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)C(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C20H31N3O3/c1-3-7-19(24)23(16-18-8-5-4-6-9-18)17(2)20(25)21-10-11-22-12-14-26-15-13-22/h4-6,8-9,17H,3,7,10-16H2,1-2H3,(H,21,25)
InChIKeyDRDGSWZORMOHIQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.65
Rot. Bonds9

About N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide

N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide (PubChem CID 133148925) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
PubChem CID133148925
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)C(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C20H31N3O3/c1-3-7-19(24)23(16-18-8-5-4-6-9-18)17(2)20(25)21-10-11-22-12-14-26-15-13-22/h4-6,8-9,17H,3,7,10-16H2,1-2H3,(H,21,25)
InChIKeyDRDGSWZORMOHIQ-UHFFFAOYSA-N
XLogP1.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide
CID 109016746
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 133149539
N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132649959
N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide
CID 133148921
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 133214559
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517517
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133236862
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
(2R)-2-[benzyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 125046681

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide?
The IUPAC name of N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide (CID 133148925) is N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide is CCCC(=O)N(Cc1ccccc1)C(C)C(=O)NCCN1CCOCC1.
What is the InChIKey of N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide?
The InChIKey is DRDGSWZORMOHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-7-19(24)23(16-18-8-5-4-6-9-18)17(2)20(25)21-10-11-22-12-14-26-15-13-22/h4-6,8-9,17H,3,7,10-16H2,1-2H3,(H,21,25).
What are the key properties of N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide?
N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide has a molecular weight of 361.49 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 133148925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).