ethane;1-formylazepane-4-carboxamide;2-methoxypropane

C14H30N2O3 — CID 143603391

IUPACethane;1-formylazepane-4-carboxamide;2-methoxypropane
SMILESCC.COC(C)C.NC(=O)C1CCCN(C=O)CC1
InChIInChI=1S/C8H14N2O2.C4H10O.C2H6/c9-8(12)7-2-1-4-10(6-11)5-3-7;1-4(2)5-3;1-2/h6-7H,1-5H2,(H2,9,12);4H,1-3H3;1-2H3
InChIKeyZEGDGCHARCULDH-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.80
Rot. Bonds3

About ethane;1-formylazepane-4-carboxamide;2-methoxypropane

ethane;1-formylazepane-4-carboxamide;2-methoxypropane (PubChem CID 143603391) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is ethane;1-formylazepane-4-carboxamide;2-methoxypropane.

Molecular Properties

Compound Nameethane;1-formylazepane-4-carboxamide;2-methoxypropane
PubChem CID143603391
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Nameethane;1-formylazepane-4-carboxamide;2-methoxypropane
SMILESCC.COC(C)C.NC(=O)C1CCCN(C=O)CC1
InChIInChI=1S/C8H14N2O2.C4H10O.C2H6/c9-8(12)7-2-1-4-10(6-11)5-3-7;1-4(2)5-3;1-2/h6-7H,1-5H2,(H2,9,12);4H,1-3H3;1-2H3
InChIKeyZEGDGCHARCULDH-UHFFFAOYSA-N
XLogP1.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-formylazepane-4-carboxamide;2-methoxypropane?
The IUPAC name of ethane;1-formylazepane-4-carboxamide;2-methoxypropane (CID 143603391) is ethane;1-formylazepane-4-carboxamide;2-methoxypropane.
What is the SMILES notation for ethane;1-formylazepane-4-carboxamide;2-methoxypropane?
The canonical SMILES for ethane;1-formylazepane-4-carboxamide;2-methoxypropane is CC.COC(C)C.NC(=O)C1CCCN(C=O)CC1.
What is the InChIKey of ethane;1-formylazepane-4-carboxamide;2-methoxypropane?
The InChIKey is ZEGDGCHARCULDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C4H10O.C2H6/c9-8(12)7-2-1-4-10(6-11)5-3-7;1-4(2)5-3;1-2/h6-7H,1-5H2,(H2,9,12);4H,1-3H3;1-2H3.
What are the key properties of ethane;1-formylazepane-4-carboxamide;2-methoxypropane?
ethane;1-formylazepane-4-carboxamide;2-methoxypropane has a molecular weight of 274.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-formylazepane-4-carboxamide;2-methoxypropane is sourced from PubChem (CID 143603391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).