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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 42780061
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 7301981
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212251
[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966386
N-cyclopentyl-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 52574458
3-[acetyl(cyclopentyl)amino]-N-cyclopentylpropanamide
CID 113116313
N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide
CID 79115766
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 7261485
N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
CID 81483390

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).