N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide

C18H36N2O5 — CID 143771941

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide
SMILESCC(C)(C)C(=O)CCC(=O)NCCCOCCOCCOCCCN
InChIInChI=1S/C18H36N2O5/c1-18(2,3)16(21)6-7-17(22)20-9-5-11-24-13-15-25-14-12-23-10-4-8-19/h4-15,19H2,1-3H3,(H,20,22)
InChIKeyGHWGUVKQFNLUAP-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.29
Rot. Bonds16

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide (PubChem CID 143771941) has the molecular formula C18H36N2O5 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide
PubChem CID143771941
Molecular FormulaC18H36N2O5
Molecular Weight360.50 g/mol
Exact Mass360.26
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide
SMILESCC(C)(C)C(=O)CCC(=O)NCCCOCCOCCOCCCN
InChIInChI=1S/C18H36N2O5/c1-18(2,3)16(21)6-7-17(22)20-9-5-11-24-13-15-25-14-12-23-10-4-8-19/h4-15,19H2,1-3H3,(H,20,22)
InChIKeyGHWGUVKQFNLUAP-UHFFFAOYSA-N
XLogP1.29
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide
CID 123586963
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,4-dimethyl-3-oxopentanamide
CID 142404359
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methyl-N-[2-[2-methyl-4-[2-methyl-5-[2-[2-methyl-4-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentan-2-yl]oxybutan-2-yl]oxyethyl]pentanamide
CID 138710128
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
CID 106310658
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 158125954
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
(2S)-2,6-diamino-N-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-[3-[2-[2-[3-[[(2S)-2,6-diaminohexanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 86675712
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide (CID 143771941) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide is CC(C)(C)C(=O)CCC(=O)NCCCOCCOCCOCCCN.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide?
The InChIKey is GHWGUVKQFNLUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O5/c1-18(2,3)16(21)6-7-17(22)20-9-5-11-24-13-15-25-14-12-23-10-4-8-19/h4-15,19H2,1-3H3,(H,20,22).
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide has a molecular weight of 360.50 g/mol, XLogP of 1.29, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide is sourced from PubChem (CID 143771941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).