N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide

C12H18N2O3 — CID 46431023

IUPACN-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide
SMILESCCC(CC)NC(=O)CNC(=O)c1ccoc1
InChIInChI=1S/C12H18N2O3/c1-3-10(4-2)14-11(15)7-13-12(16)9-5-6-17-8-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMVGZHYNEIPOWFW-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.31
Rot. Bonds6

About N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide

N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide (PubChem CID 46431023) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide
PubChem CID46431023
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide
SMILESCCC(CC)NC(=O)CNC(=O)c1ccoc1
InChIInChI=1S/C12H18N2O3/c1-3-10(4-2)14-11(15)7-13-12(16)9-5-6-17-8-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMVGZHYNEIPOWFW-UHFFFAOYSA-N
XLogP1.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-(4S,6S)-6-((S)-2-{(S)-2-[(Furan-2-carbonyl)-amino]-3-methyl-butyrylamino}-3-methyl-butyrylamino)-8-methyl-5-oxo-4-((R)-2-oxo-pyrrolidin-3-ylmethyl)-non-2-enoic acid ethyl ester
CID 5287569
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-3-carboxamide
CID 162515905
2(1H)-Pyridinone, 5-ethyl-3-((3-furanylmethyl)amino)-6-methyl-
CID 454402
methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate
CID 166629403
3-Furoyl-l-leucylglycinamide
CID 166630178
1-(Furan-3-carbonyl)piperidin-4-amine
CID 16771508
Methyl 4-({[1-(3-furylmethyl)-3-oxo-2-piperazinyl]acetyl}amino)butanoate
CID 16191244
N-(3-hydroxypropyl)furan-3-carboxamide
CID 16729503
3-[1-(Furan-3-YL)-N-(3-methoxypropyl)formamido]-N-(3-methylbutyl)propanamide
CID 3667145
3-[1-(Furan-3-YL)-N-(3-methylbutyl)formamido]-N-(3-methoxypropyl)propanamide
CID 4373963
2-[1-(3-furylmethyl)-3-oxo-2-piperazinyl]-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]acetamide
CID 16188384
2-[1-(3-furylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190902

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide (CID 46431023) is N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide is CCC(CC)NC(=O)CNC(=O)c1ccoc1.
What is the InChIKey of N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide?
The InChIKey is MVGZHYNEIPOWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-10(4-2)14-11(15)7-13-12(16)9-5-6-17-8-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide?
N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide is sourced from PubChem (CID 46431023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).