2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate

C17H33N3O5 — CID 58419101

IUPAC2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate
SMILESCCC(=O)OCCN(CCCNC(=O)C(C)(C)C(=O)NC)CCOC
InChIInChI=1S/C17H33N3O5/c1-6-14(21)25-13-11-20(10-12-24-5)9-7-8-19-16(23)17(2,3)15(22)18-4/h6-13H2,1-5H3,(H,18,22)(H,19,23)
InChIKeyBZGDBGBJFVHNIG-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.17
Rot. Bonds13

About 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate

2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate (PubChem CID 58419101) has the molecular formula C17H33N3O5 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate.

Molecular Properties

Compound Name2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate
PubChem CID58419101
Molecular FormulaC17H33N3O5
Molecular Weight359.47 g/mol
Exact Mass359.24
IUPAC Name2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate
SMILESCCC(=O)OCCN(CCCNC(=O)C(C)(C)C(=O)NC)CCOC
InChIInChI=1S/C17H33N3O5/c1-6-14(21)25-13-11-20(10-12-24-5)9-7-8-19-16(23)17(2,3)15(22)18-4/h6-13H2,1-5H3,(H,18,22)(H,19,23)
InChIKeyBZGDBGBJFVHNIG-UHFFFAOYSA-N
XLogP0.17
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate with MolForge

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
3-[ethyl(2-methoxyethyl)amino]propylurea
CID 89337581
N-[3-[ethyl(2-methoxyethyl)amino]propyl]acetamide
CID 89358934
2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate
CID 158153026
N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 61418451
tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate
CID 113366624
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
3-[3-aminopropyl(2-methoxyethyl)amino]-N-methylpropanamide
CID 63287350
2-hydroxyethyl 2-[2-methoxyethyl(2-propan-2-yloxyethyl)amino]acetate
CID 153354014
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 58419108

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate?
The IUPAC name of 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate (CID 58419101) is 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate.
What is the SMILES notation for 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate?
The canonical SMILES for 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate is CCC(=O)OCCN(CCCNC(=O)C(C)(C)C(=O)NC)CCOC.
What is the InChIKey of 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate?
The InChIKey is BZGDBGBJFVHNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O5/c1-6-14(21)25-13-11-20(10-12-24-5)9-7-8-19-16(23)17(2,3)15(22)18-4/h6-13H2,1-5H3,(H,18,22)(H,19,23).
What are the key properties of 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate?
2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate has a molecular weight of 359.47 g/mol, XLogP of 0.17, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2,2-dimethyl-3-(methylamino)-3-oxopropanoyl]amino]propyl-(2-methoxyethyl)amino]ethyl propanoate is sourced from PubChem (CID 58419101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).