3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide

C17H27N3O2 — CID 109016591

IUPAC3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(C)c(NCCC(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C17H27N3O2/c1-14-3-4-15(2)16(13-14)18-6-5-17(21)19-7-8-20-9-11-22-12-10-20/h3-4,13,18H,5-12H2,1-2H3,(H,19,21)
InChIKeyCLHJCOJPICOCCN-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.55
Rot. Bonds7

About 3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide

3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 109016591) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID109016591
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(C)c(NCCC(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C17H27N3O2/c1-14-3-4-15(2)16(13-14)18-6-5-17(21)19-7-8-20-9-11-22-12-10-20/h3-4,13,18H,5-12H2,1-2H3,(H,19,21)
InChIKeyCLHJCOJPICOCCN-UHFFFAOYSA-N
XLogP1.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
CID 109016643
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
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide
CID 84566540
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109016647

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 109016591) is 3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide is Cc1ccc(C)c(NCCC(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is CLHJCOJPICOCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-3-4-15(2)16(13-14)18-6-5-17(21)19-7-8-20-9-11-22-12-10-20/h3-4,13,18H,5-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 109016591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).