3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide

C23H31N3O2 — CID 109037337

IUPAC3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCC(C)(C)c1ccccc1NCCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H31N3O2/c1-23(2,3)18-8-4-5-9-19(18)24-13-12-22(27)25-20-10-6-7-11-21(20)26-14-16-28-17-15-26/h4-11,24H,12-17H2,1-3H3,(H,25,27)
InChIKeyGYOBRWCXINKYMI-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.26
Rot. Bonds6

About 3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide

3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide (PubChem CID 109037337) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
PubChem CID109037337
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCC(C)(C)c1ccccc1NCCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H31N3O2/c1-23(2,3)18-8-4-5-9-19(18)24-13-12-22(27)25-20-10-6-7-11-21(20)26-14-16-28-17-15-26/h4-11,24H,12-17H2,1-3H3,(H,25,27)
InChIKeyGYOBRWCXINKYMI-UHFFFAOYSA-N
XLogP4.26
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109037056
N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51180135
3-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109039568
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 2813229
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-(2-methoxyethyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109015107
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide (CID 109037337) is 3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide is CC(C)(C)c1ccccc1NCCC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide?
The InChIKey is GYOBRWCXINKYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(2,3)18-8-4-5-9-19(18)24-13-12-22(27)25-20-10-6-7-11-21(20)26-14-16-28-17-15-26/h4-11,24H,12-17H2,1-3H3,(H,25,27).
What are the key properties of 3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide?
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide has a molecular weight of 381.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 109037337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).