3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide

C16H25N3O2 — CID 109016587

IUPAC3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(NCCC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-14-2-4-15(5-3-14)17-7-6-16(20)18-8-9-19-10-12-21-13-11-19/h2-5,17H,6-13H2,1H3,(H,18,20)
InChIKeyZWPRYDQXCPATTG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.25
Rot. Bonds7

About 3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide

3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 109016587) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID109016587
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(NCCC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-14-2-4-15(5-3-14)17-7-6-16(20)18-8-9-19-10-12-21-13-11-19/h2-5,17H,6-13H2,1H3,(H,18,20)
InChIKeyZWPRYDQXCPATTG-UHFFFAOYSA-N
XLogP1.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016591
N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109016647
4-methyl-4-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pentanamide
CID 110305480
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 46372556
2-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994999

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 109016587) is 3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide is Cc1ccc(NCCC(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is ZWPRYDQXCPATTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14-2-4-15(5-3-14)17-7-6-16(20)18-8-9-19-10-12-21-13-11-19/h2-5,17H,6-13H2,1H3,(H,18,20).
What are the key properties of 3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 109016587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).