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

C18H25N3O3 — CID 113132150

IUPAC3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CC1)c1ccccc1N1CCOCC1
InChIInChI=1S/C18H25N3O3/c1-14(22)21(9-8-18(23)19-15-6-7-15)17-5-3-2-4-16(17)20-10-12-24-13-11-20/h2-5,15H,6-13H2,1H3,(H,19,23)
InChIKeyMDFMRMPGLSBVQY-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.54
Rot. Bonds6

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

3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide (PubChem CID 113132150) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide
PubChem CID113132150
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CC1)c1ccccc1N1CCOCC1
InChIInChI=1S/C18H25N3O3/c1-14(22)21(9-8-18(23)19-15-6-7-15)17-5-3-2-4-16(17)20-10-12-24-13-11-20/h2-5,15H,6-13H2,1H3,(H,19,23)
InChIKeyMDFMRMPGLSBVQY-UHFFFAOYSA-N
XLogP1.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
CID 113132158
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide
CID 113132196
3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
CID 113125154
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
2-(N-acetyl-2-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 113177265
ethyl N-[2-(N-acetyl-2-morpholin-4-ylanilino)ethyl]carbamate
CID 113062485
N-cyclopentyl-2-(N-methylsulfonyl-2-morpholin-4-ylanilino)acetamide
CID 113156357
ethyl 4-[3-(N-acetyl-2-methylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123590
2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide
CID 113177315
N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109031514
3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
CID 113134156

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide (CID 113132150) is 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide is CC(=O)N(CCC(=O)NC1CC1)c1ccccc1N1CCOCC1.
What is the InChIKey of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide?
The InChIKey is MDFMRMPGLSBVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(22)21(9-8-18(23)19-15-6-7-15)17-5-3-2-4-16(17)20-10-12-24-13-11-20/h2-5,15H,6-13H2,1H3,(H,19,23).
What are the key properties of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide?
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 1.54, 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-cyclopropylpropanamide is sourced from PubChem (CID 113132150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).