N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide

C19H31N3O2 — CID 109016746

IUPACN-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CCNCCN1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-17(2)22(16-18-6-4-3-5-7-18)19(23)8-9-20-10-11-21-12-14-24-15-13-21/h3-7,17,20H,8-16H2,1-2H3
InChIKeyOFLSWCIESYPXNO-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.74
Rot. Bonds9

About N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide

N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide (PubChem CID 109016746) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide
PubChem CID109016746
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CCNCCN1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-17(2)22(16-18-6-4-3-5-7-18)19(23)8-9-20-10-11-21-12-14-24-15-13-21/h3-7,17,20H,8-16H2,1-2H3
InChIKeyOFLSWCIESYPXNO-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-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
CID 133148925
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28577606
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
4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045869
(2R)-2-[benzyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 125046681
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517517

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide?
The IUPAC name of N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide (CID 109016746) is N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide is CC(C)N(Cc1ccccc1)C(=O)CCNCCN1CCOCC1.
What is the InChIKey of N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide?
The InChIKey is OFLSWCIESYPXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-17(2)22(16-18-6-4-3-5-7-18)19(23)8-9-20-10-11-21-12-14-24-15-13-21/h3-7,17,20H,8-16H2,1-2H3.
What are the key properties of N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide?
N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide 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-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 109016746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).