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

C15H22N2O3 — CID 42780061

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-11-13(8-10-20-11)15(19)16-9-7-14(18)17-12-5-3-2-4-6-12/h8,10,12H,2-7,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyIEVRHLBIYRVKHF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.16
Rot. Bonds5

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

N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide (PubChem CID 42780061) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
PubChem CID42780061
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-11-13(8-10-20-11)15(19)16-9-7-14(18)17-12-5-3-2-4-6-12/h8,10,12H,2-7,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyIEVRHLBIYRVKHF-UHFFFAOYSA-N
XLogP2.16
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
CID 81483390
N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 816497
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966386
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 111426337
2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide
CID 60552301
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 45178957
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide (CID 42780061) is N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCCC(=O)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide?
The InChIKey is IEVRHLBIYRVKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-13(8-10-20-11)15(19)16-9-7-14(18)17-12-5-3-2-4-6-12/h8,10,12H,2-7,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 42780061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).