ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide

C19H35NO3 — CID 144763012

IUPACethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
SMILESC=CC.CC.CCCOCCOCCNC(=O)C1=CCCC=C1
InChIInChI=1S/C14H23NO3.C3H6.C2H6/c1-2-9-17-11-12-18-10-8-15-14(16)13-6-4-3-5-7-13;1-3-2;1-2/h4,6-7H,2-3,5,8-12H2,1H3,(H,15,16);3H,1H2,2H3;1-2H3
InChIKeyLXCMLEDXICBAPM-UHFFFAOYSA-N
MW325.49 g/mol
LogP4.04
Rot. Bonds9

About ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide

ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144763012) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Nameethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
PubChem CID144763012
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Nameethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
SMILESC=CC.CC.CCCOCCOCCNC(=O)C1=CCCC=C1
InChIInChI=1S/C14H23NO3.C3H6.C2H6/c1-2-9-17-11-12-18-10-8-15-14(16)13-6-4-3-5-7-13;1-3-2;1-2/h4,6-7H,2-3,5,8-12H2,1H3,(H,15,16);3H,1H2,2H3;1-2H3
InChIKeyLXCMLEDXICBAPM-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide (CID 144763012) is ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide is C=CC.CC.CCCOCCOCCNC(=O)C1=CCCC=C1.
What is the InChIKey of ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is LXCMLEDXICBAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3.C3H6.C2H6/c1-2-9-17-11-12-18-10-8-15-14(16)13-6-4-3-5-7-13;1-3-2;1-2/h4,6-7H,2-3,5,8-12H2,1H3,(H,15,16);3H,1H2,2H3;1-2H3.
What are the key properties of ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide?
ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 325.49 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;prop-1-ene;N-[2-(2-propoxyethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144763012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).