N-cycloheptyl-2-methylfuran-3-carboxamide

C13H19NO2 — CID 874225

IUPACN-cycloheptyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H19NO2/c1-10-12(8-9-16-10)13(15)14-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,14,15)
InChIKeyTWTRHBRADIAGHD-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.04
Rot. Bonds2

About N-cycloheptyl-2-methylfuran-3-carboxamide

N-cycloheptyl-2-methylfuran-3-carboxamide (PubChem CID 874225) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cycloheptyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methylfuran-3-carboxamide
PubChem CID874225
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-cycloheptyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H19NO2/c1-10-12(8-9-16-10)13(15)14-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,14,15)
InChIKeyTWTRHBRADIAGHD-UHFFFAOYSA-N
XLogP3.04
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-methylfuran-3-carboxamide (CID 874225) is N-cycloheptyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-methylfuran-3-carboxamide?
The InChIKey is TWTRHBRADIAGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-12(8-9-16-10)13(15)14-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,14,15).
What are the key properties of N-cycloheptyl-2-methylfuran-3-carboxamide?
N-cycloheptyl-2-methylfuran-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 874225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).