4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide

C17H31N3O5 — CID 170744850

IUPAC4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide
SMILES[H]/N=C/CC(C)C(=O)N(C)CCC(=O)NCCOCCOCCC(C)=O
InChIInChI=1S/C17H31N3O5/c1-14(4-7-18)17(23)20(3)9-5-16(22)19-8-11-25-13-12-24-10-6-15(2)21/h7,14,18H,4-6,8-13H2,1-3H3,(H,19,22)/b18-7+
InChIKeyCPTOLGNQLOGONN-CNHKJKLMSA-N
MW357.45 g/mol
LogP0.64
Rot. Bonds15

About 4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide

4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide (PubChem CID 170744850) has the molecular formula C17H31N3O5 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide.

Molecular Properties

Compound Name4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide
PubChem CID170744850
Molecular FormulaC17H31N3O5
Molecular Weight357.45 g/mol
Exact Mass357.23
IUPAC Name4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide
SMILES[H]/N=C/CC(C)C(=O)N(C)CCC(=O)NCCOCCOCCC(C)=O
InChIInChI=1S/C17H31N3O5/c1-14(4-7-18)17(23)20(3)9-5-16(22)19-8-11-25-13-12-24-10-6-15(2)21/h7,14,18H,4-6,8-13H2,1-3H3,(H,19,22)/b18-7+
InChIKeyCPTOLGNQLOGONN-CNHKJKLMSA-N
XLogP0.64
TPSA108.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
ethane;3-[methyl-[(Z)-4-oxobut-2-enimidoyl]amino]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;propane
CID 178094533
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide
CID 138721623
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919
18-[[1-carboxy-4-oxo-4-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]butyl]amino]-18-oxooctadecanoic acid
CID 118267227
18-[[(1S)-1-carboxy-4-oxo-4-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]butyl]amino]-18-oxooctadecanoic acid
CID 88946767
2-(henicosanoylamino)-5-oxo-5-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 123912281

Frequently Asked Questions

What is the IUPAC name of 4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide?
The IUPAC name of 4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide (CID 170744850) is 4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide.
What is the SMILES notation for 4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide?
The canonical SMILES for 4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide is [H]/N=C/CC(C)C(=O)N(C)CCC(=O)NCCOCCOCCC(C)=O.
What is the InChIKey of 4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide?
The InChIKey is CPTOLGNQLOGONN-CNHKJKLMSA-N. The full InChI is InChI=1S/C17H31N3O5/c1-14(4-7-18)17(23)20(3)9-5-16(22)19-8-11-25-13-12-24-10-6-15(2)21/h7,14,18H,4-6,8-13H2,1-3H3,(H,19,22)/b18-7+.
What are the key properties of 4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide?
4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide has a molecular weight of 357.45 g/mol, XLogP of 0.64, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N,2-dimethyl-N-[3-oxo-3-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]propyl]butanamide is sourced from PubChem (CID 170744850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).