3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide

C17H27N3O3 — CID 109016626

IUPAC3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccc(C)cc1NCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C17H27N3O3/c1-14-3-4-16(22-2)15(13-14)18-6-5-17(21)19-7-8-20-9-11-23-12-10-20/h3-4,13,18H,5-12H2,1-2H3,(H,19,21)
InChIKeySPNUYZVCZZIKSM-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.25
Rot. Bonds8

About 3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide

3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 109016626) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID109016626
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccc(C)cc1NCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C17H27N3O3/c1-14-3-4-16(22-2)15(13-14)18-6-5-17(21)19-7-8-20-9-11-23-12-10-20/h3-4,13,18H,5-12H2,1-2H3,(H,19,21)
InChIKeySPNUYZVCZZIKSM-UHFFFAOYSA-N
XLogP1.25
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016591
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 79019437
2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767323
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612
4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
CID 110625284
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111034986

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 109016626) is 3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide is COc1ccc(C)cc1NCCC(=O)NCCN1CCOCC1.
What is the InChIKey of 3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is SPNUYZVCZZIKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-14-3-4-16(22-2)15(13-14)18-6-5-17(21)19-7-8-20-9-11-23-12-10-20/h3-4,13,18H,5-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 109016626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).