2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide

C25H34N4O3 — CID 26029859

IUPAC2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C25H34N4O3/c1-19(2)16-26-25(31)21-9-5-6-10-22(21)27-24(30)18-28(3)17-20-8-4-7-11-23(20)29-12-14-32-15-13-29/h4-11,19H,12-18H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyNNKOHBWNTWBMNG-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.98
Rot. Bonds9

About 2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 26029859) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID26029859
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C25H34N4O3/c1-19(2)16-26-25(31)21-9-5-6-10-22(21)27-24(30)18-28(3)17-20-8-4-7-11-23(20)29-12-14-32-15-13-29/h4-11,19H,12-18H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyNNKOHBWNTWBMNG-UHFFFAOYSA-N
XLogP2.98
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 26381318
N-(4-cyanophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 17494196
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 27124664
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride
CID 171667504
2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159164
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 24594996
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
N-(2,6-dimethylphenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetamide
CID 17498094
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 26029859) is 2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is NNKOHBWNTWBMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-19(2)16-26-25(31)21-9-5-6-10-22(21)27-24(30)18-28(3)17-20-8-4-7-11-23(20)29-12-14-32-15-13-29/h4-11,19H,12-18H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of 2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 438.57 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 26029859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).