3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide

C21H31N3O3 — CID 113132158

IUPAC3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCC1)c1ccccc1N1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-17(25)24(12-11-21(26)22-18-7-3-2-4-8-18)20-10-6-5-9-19(20)23-13-15-27-16-14-23/h5-6,9-10,18H,2-4,7-8,11-16H2,1H3,(H,22,26)
InChIKeyXKKPPSBXPVWJFU-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.72
Rot. Bonds6

About 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide

3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide (PubChem CID 113132158) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
PubChem CID113132158
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCC1)c1ccccc1N1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-17(25)24(12-11-21(26)22-18-7-3-2-4-8-18)20-10-6-5-9-19(20)23-13-15-27-16-14-23/h5-6,9-10,18H,2-4,7-8,11-16H2,1H3,(H,22,26)
InChIKeyXKKPPSBXPVWJFU-UHFFFAOYSA-N
XLogP2.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide
CID 113132150
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide
CID 113132196
N-cyclopentyl-2-(N-methylsulfonyl-2-morpholin-4-ylanilino)acetamide
CID 113156357
N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109031514
3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
2-(N-acetyl-2-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 113177265
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113132180
3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 113126781
3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
CID 113125154
ethyl N-[2-(N-acetyl-2-morpholin-4-ylanilino)ethyl]carbamate
CID 113062485

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide?
The IUPAC name of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide (CID 113132158) is 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide is CC(=O)N(CCC(=O)NC1CCCCC1)c1ccccc1N1CCOCC1.
What is the InChIKey of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide?
The InChIKey is XKKPPSBXPVWJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17(25)24(12-11-21(26)22-18-7-3-2-4-8-18)20-10-6-5-9-19(20)23-13-15-27-16-14-23/h5-6,9-10,18H,2-4,7-8,11-16H2,1H3,(H,22,26).
What are the key properties of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide?
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide has a molecular weight of 373.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 113132158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).