N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide

C19H31N3O2 — CID 119877069

IUPACN-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
SMILESCNCCCC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-17(15-21-11-13-24-14-12-21)22(19(23)9-6-10-20-2)16-18-7-4-3-5-8-18/h3-5,7-8,17,20H,6,9-16H2,1-2H3
InChIKeyUEWUWHZYXRIRLL-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.74
Rot. Bonds9

About N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide

N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide (PubChem CID 119877069) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
PubChem CID119877069
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
SMILESCNCCCC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-17(15-21-11-13-24-14-12-21)22(19(23)9-6-10-20-2)16-18-7-4-3-5-8-18/h3-5,7-8,17,20H,6,9-16H2,1-2H3
InChIKeyUEWUWHZYXRIRLL-UHFFFAOYSA-N
XLogP1.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 56500583
N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 56501893
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56500451
2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride
CID 119877064
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 56581067
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 56500713
2-[4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56500698
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56502325
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide?
The IUPAC name of N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide (CID 119877069) is N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide.
What is the SMILES notation for N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide?
The canonical SMILES for N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide is CNCCCC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1.
What is the InChIKey of N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide?
The InChIKey is UEWUWHZYXRIRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-17(15-21-11-13-24-14-12-21)22(19(23)9-6-10-20-2)16-18-7-4-3-5-8-18/h3-5,7-8,17,20H,6,9-16H2,1-2H3.
What are the key properties of N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide?
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide has a molecular weight of 333.48 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide is sourced from PubChem (CID 119877069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).