N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide

C18H26N2O3 — CID 816497

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCC(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C18H26N2O3/c1-13-16(10-12-23-13)18(22)20(15-7-8-15)11-9-17(21)19-14-5-3-2-4-6-14/h10,12,14-15H,2-9,11H2,1H3,(H,19,21)
InChIKeyLBPPRQYNXSKWAP-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.03
Rot. Bonds6

About N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide

N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide (PubChem CID 816497) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
PubChem CID816497
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCC(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C18H26N2O3/c1-13-16(10-12-23-13)18(22)20(15-7-8-15)11-9-17(21)19-14-5-3-2-4-6-14/h10,12,14-15H,2-9,11H2,1H3,(H,19,21)
InChIKeyLBPPRQYNXSKWAP-UHFFFAOYSA-N
XLogP3.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide (CID 816497) is N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N(CCC(=O)NC1CCCCC1)C1CC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
The InChIKey is LBPPRQYNXSKWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-16(10-12-23-13)18(22)20(15-7-8-15)11-9-17(21)19-14-5-3-2-4-6-14/h10,12,14-15H,2-9,11H2,1H3,(H,19,21).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 816497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).