N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C20H22N4O4 — CID 52723980

IUPACN-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCCCCn1nccc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H22N4O4/c1-2-3-11-24-18(9-10-21-24)23-19(25)14-28-16-7-4-6-15(13-16)22-20(26)17-8-5-12-27-17/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,26)(H,23,25)
InChIKeyHUGYGOABMBFLHJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.55
Rot. Bonds9

About N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 52723980) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID52723980
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCCCCn1nccc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H22N4O4/c1-2-3-11-24-18(9-10-21-24)23-19(25)14-28-16-7-4-6-15(13-16)22-20(26)17-8-5-12-27-17/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,26)(H,23,25)
InChIKeyHUGYGOABMBFLHJ-UHFFFAOYSA-N
XLogP3.55
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 37026412
N-[3-[2-[2-(ethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86821930
2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide
CID 55675906
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843293
N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 120508273
N-[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 78861839

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 52723980) is N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide is CCCCn1nccc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is HUGYGOABMBFLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-2-3-11-24-18(9-10-21-24)23-19(25)14-28-16-7-4-6-15(13-16)22-20(26)17-8-5-12-27-17/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 52723980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).