N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride

C19H26ClN3O4 — CID 119642129

IUPACN-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)COc1cccc(NC(=O)c2ccco2)c1.Cl
InChIInChI=1S/C19H25N3O4.ClH/c1-3-19(20,4-2)13-21-17(23)12-26-15-8-5-7-14(11-15)22-18(24)16-9-6-10-25-16;/h5-11H,3-4,12-13,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyWPYGKHKQSDUVFI-UHFFFAOYSA-N
MW395.89 g/mol
LogP2.97
Rot. Bonds9

About N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride

N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119642129) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119642129
Molecular FormulaC19H26ClN3O4
Molecular Weight395.89 g/mol
Exact Mass395.16
IUPAC NameN-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)COc1cccc(NC(=O)c2ccco2)c1.Cl
InChIInChI=1S/C19H25N3O4.ClH/c1-3-19(20,4-2)13-21-17(23)12-26-15-8-5-7-14(11-15)22-18(24)16-9-6-10-25-16;/h5-11H,3-4,12-13,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyWPYGKHKQSDUVFI-UHFFFAOYSA-N
XLogP2.97
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

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CID 46547454
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 120508273
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
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N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
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N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
N-[3-[2-[2-(ethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride (CID 119642129) is N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)COc1cccc(NC(=O)c2ccco2)c1.Cl.
What is the InChIKey of N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is WPYGKHKQSDUVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4.ClH/c1-3-19(20,4-2)13-21-17(23)12-26-15-8-5-7-14(11-15)22-18(24)16-9-6-10-25-16;/h5-11H,3-4,12-13,20H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride?
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 395.89 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119642129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).