2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide

C19H30N2O3 — CID 110767323

IUPAC2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN2CCOCC2)cc1C(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-19(2,3)16-13-15(5-6-17(16)23-4)14-18(22)20-7-8-21-9-11-24-12-10-21/h5-6,13H,7-12,14H2,1-4H3,(H,20,22)
InChIKeyDPVADDJRGVPLRE-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.98
Rot. Bonds6

About 2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide

2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 110767323) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID110767323
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN2CCOCC2)cc1C(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-19(2,3)16-13-15(5-6-17(16)23-4)14-18(22)20-7-8-21-9-11-24-12-10-21/h5-6,13H,7-12,14H2,1-4H3,(H,20,22)
InChIKeyDPVADDJRGVPLRE-UHFFFAOYSA-N
XLogP1.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626
4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
CID 110625284
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363
2-methoxy-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110761441
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide (CID 110767323) is 2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide is COc1ccc(CC(=O)NCCN2CCOCC2)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is DPVADDJRGVPLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)16-13-15(5-6-17(16)23-4)14-18(22)20-7-8-21-9-11-24-12-10-21/h5-6,13H,7-12,14H2,1-4H3,(H,20,22).
What are the key properties of 2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 334.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 110767323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).