5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide

C15H23N3O3 — CID 102705898

IUPAC5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
SMILESCOCCNC(=O)CCNC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C15H23N3O3/c1-10-8-11(2)13(16)9-12(10)15(20)18-5-4-14(19)17-6-7-21-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyPOYZLLPIRVCPSW-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.77
Rot. Bonds7

About 5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide

5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide (PubChem CID 102705898) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
PubChem CID102705898
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
SMILESCOCCNC(=O)CCNC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C15H23N3O3/c1-10-8-11(2)13(16)9-12(10)15(20)18-5-4-14(19)17-6-7-21-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyPOYZLLPIRVCPSW-UHFFFAOYSA-N
XLogP0.77
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738
5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 107185821
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 115738491
4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide
CID 103956667
5-(2-methoxyethylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65368514
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
2-methoxyethyl 5-amino-2,4-dimethylbenzoate
CID 104538496
(3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188719
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide (CID 102705898) is 5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide is COCCNC(=O)CCNC(=O)c1cc(N)c(C)cc1C.
What is the InChIKey of 5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide?
The InChIKey is POYZLLPIRVCPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-8-11(2)13(16)9-12(10)15(20)18-5-4-14(19)17-6-7-21-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide?
5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 102705898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).