ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide

C18H40N2O4 — CID 166555356

IUPACethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
SMILESCC.CCC(=O)NCCCOCCOCCOCCCNC(C)C
InChIInChI=1S/C16H34N2O4.C2H6/c1-4-16(19)18-8-6-10-21-12-14-22-13-11-20-9-5-7-17-15(2)3;1-2/h15,17H,4-14H2,1-3H3,(H,18,19);1-2H3
InChIKeyIKBNJPAXOJVDOZ-UHFFFAOYSA-N
MW348.53 g/mol
LogP2.37
Rot. Bonds16

About ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide

ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide (PubChem CID 166555356) has the molecular formula C18H40N2O4 and a molecular weight of 348.53 g/mol. Its IUPAC name is ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound Nameethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
PubChem CID166555356
Molecular FormulaC18H40N2O4
Molecular Weight348.53 g/mol
Exact Mass348.30
IUPAC Nameethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
SMILESCC.CCC(=O)NCCCOCCOCCOCCCNC(C)C
InChIInChI=1S/C16H34N2O4.C2H6/c1-4-16(19)18-8-6-10-21-12-14-22-13-11-20-9-5-7-17-15(2)3;1-2/h15,17H,4-14H2,1-3H3,(H,18,19);1-2H3
InChIKeyIKBNJPAXOJVDOZ-UHFFFAOYSA-N
XLogP2.37
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide
CID 146201925
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
N-ethyl-3-[3-(propan-2-ylamino)propoxy]propanamide
CID 62342053
2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
CID 170038260
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 164805844
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
methyl 3-[3-(propan-2-ylamino)propoxy]propanoate
CID 106939689
N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004
N-(3-hydroperoxypropyl)propanamide
CID 59935072

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide?
The IUPAC name of ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide (CID 166555356) is ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide is CC.CCC(=O)NCCCOCCOCCOCCCNC(C)C.
What is the InChIKey of ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide?
The InChIKey is IKBNJPAXOJVDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4.C2H6/c1-4-16(19)18-8-6-10-21-12-14-22-13-11-20-9-5-7-17-15(2)3;1-2/h15,17H,4-14H2,1-3H3,(H,18,19);1-2H3.
What are the key properties of ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide?
ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 348.53 g/mol, XLogP of 2.37, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 166555356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).