2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide

C19H29N3O3 — CID 113177315

IUPAC2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C19H29N3O3/c1-4-5-10-20(3)19(24)15-22(16(2)23)18-9-7-6-8-17(18)21-11-13-25-14-12-21/h6-9H,4-5,10-15H2,1-3H3
InChIKeyFOOGWIRWTALRIC-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.13
Rot. Bonds7

About 2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide

2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide (PubChem CID 113177315) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide
PubChem CID113177315
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C19H29N3O3/c1-4-5-10-20(3)19(24)15-22(16(2)23)18-9-7-6-8-17(18)21-11-13-25-14-12-21/h6-9H,4-5,10-15H2,1-3H3
InChIKeyFOOGWIRWTALRIC-UHFFFAOYSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
2-(N-acetyl-2-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 113177265
N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109032404
2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
CID 113170458
ethyl N-[2-(N-acetyl-2-morpholin-4-ylanilino)ethyl]carbamate
CID 113062485
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide
CID 113132150
2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
CID 113171731
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
CID 113132158
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide
CID 113132196
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
2-[acetyl(pentyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113166804

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide (CID 113177315) is 2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide is CCCCN(C)C(=O)CN(C(C)=O)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide?
The InChIKey is FOOGWIRWTALRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-5-10-20(3)19(24)15-22(16(2)23)18-9-7-6-8-17(18)21-11-13-25-14-12-21/h6-9H,4-5,10-15H2,1-3H3.
What are the key properties of 2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide?
2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide has a molecular weight of 347.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide is sourced from PubChem (CID 113177315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).