2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C22H29N3O2 — CID 8592750

IUPAC2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(C)c(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-17-4-5-18(2)19(14-17)15-24(3)16-22(26)23-20-6-8-21(9-7-20)25-10-12-27-13-11-25/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)
InChIKeyIWLMRYMQDXRYAC-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.21
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 8592750) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID8592750
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(C)c(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-17-4-5-18(2)19(14-17)15-24(3)16-22(26)23-20-6-8-21(9-7-20)25-10-12-27-13-11-25/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)
InChIKeyIWLMRYMQDXRYAC-UHFFFAOYSA-N
XLogP3.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818836
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592972
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8805861
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide
CID 52689165

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 8592750) is 2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc(C)c(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is IWLMRYMQDXRYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-4-5-18(2)19(14-17)15-24(3)16-22(26)23-20-6-8-21(9-7-20)25-10-12-27-13-11-25/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 8592750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).