N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide

C17H26N2O3 — CID 47089544

IUPACN-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide
SMILESCN(C(=O)CCNC(=O)c1ccoc1)C1CCCCCCC1
InChIInChI=1S/C17H26N2O3/c1-19(15-7-5-3-2-4-6-8-15)16(20)9-11-18-17(21)14-10-12-22-13-14/h10,12-13,15H,2-9,11H2,1H3,(H,18,21)
InChIKeyXAACFBYWFHOHHW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds5

About N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide

N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 47089544) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide
PubChem CID47089544
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide
SMILESCN(C(=O)CCNC(=O)c1ccoc1)C1CCCCCCC1
InChIInChI=1S/C17H26N2O3/c1-19(15-7-5-3-2-4-6-8-15)16(20)9-11-18-17(21)14-10-12-22-13-14/h10,12-13,15H,2-9,11H2,1H3,(H,18,21)
InChIKeyXAACFBYWFHOHHW-UHFFFAOYSA-N
XLogP2.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]furan-3-carboxamide
CID 47071893
2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid
CID 54901043
4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
CID 119443848
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715
N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
CID 38304482
N-cycloheptyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134048834
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 62917113
N-(2-cyclopentyl-2-hydroxyethyl)furan-3-carboxamide
CID 111426324
3-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]amino]propanoic acid
CID 119177043
N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 78852133
N-pentylfuran-3-carboxamide
CID 91139562

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide (CID 47089544) is N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide is CN(C(=O)CCNC(=O)c1ccoc1)C1CCCCCCC1.
What is the InChIKey of N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is XAACFBYWFHOHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-19(15-7-5-3-2-4-6-8-15)16(20)9-11-18-17(21)14-10-12-22-13-14/h10,12-13,15H,2-9,11H2,1H3,(H,18,21).
What are the key properties of N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 47089544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).