2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide

C24H33N3O2 — CID 56570018

IUPAC2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2)C(C)CN2CCOCC2)cc1C
InChIInChI=1S/C24H33N3O2/c1-19-9-10-23(15-20(19)2)25-24(28)18-27(17-22-7-5-4-6-8-22)21(3)16-26-11-13-29-14-12-26/h4-10,15,21H,11-14,16-18H2,1-3H3,(H,25,28)
InChIKeyXQFVKYVJFOJWLN-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.46
Rot. Bonds8

About 2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide

2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 56570018) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID56570018
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2)C(C)CN2CCOCC2)cc1C
InChIInChI=1S/C24H33N3O2/c1-19-9-10-23(15-20(19)2)25-24(28)18-27(17-22-7-5-4-6-8-22)21(3)16-26-11-13-29-14-12-26/h4-10,15,21H,11-14,16-18H2,1-3H3,(H,25,28)
InChIKeyXQFVKYVJFOJWLN-UHFFFAOYSA-N
XLogP3.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 56542755
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 56542784
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(1-phenylethyl)acetamide
CID 56542719
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56570050
3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide
CID 56570185
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-methyl-N-(1-phenylethyl)acetamide
CID 56542974
3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 56542624
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone
CID 56569851
2-[benzyl(propyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 29233711
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 56500963

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide (CID 56570018) is 2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccccc2)C(C)CN2CCOCC2)cc1C.
What is the InChIKey of 2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is XQFVKYVJFOJWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-19-9-10-23(15-20(19)2)25-24(28)18-27(17-22-7-5-4-6-8-22)21(3)16-26-11-13-29-14-12-26/h4-10,15,21H,11-14,16-18H2,1-3H3,(H,25,28).
What are the key properties of 2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide?
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 56570018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).