N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride

C16H20ClN3O4 — CID 120508273

IUPACN-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)COc1cccc(NC(=O)c2ccco2)c1.Cl
InChIInChI=1S/C16H19N3O4.ClH/c1-11(9-17)18-15(20)10-23-13-5-2-4-12(8-13)19-16(21)14-6-3-7-22-14;/h2-8,11H,9-10,17H2,1H3,(H,18,20)(H,19,21);1H/t11-;/m0./s1
InChIKeyKZXYZTLCOXBWLM-MERQFXBCSA-N
MW353.81 g/mol
LogP1.80
Rot. Bonds7

About N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride

N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 120508273) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID120508273
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC NameN-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)COc1cccc(NC(=O)c2ccco2)c1.Cl
InChIInChI=1S/C16H19N3O4.ClH/c1-11(9-17)18-15(20)10-23-13-5-2-4-12(8-13)19-16(21)14-6-3-7-22-14;/h2-8,11H,9-10,17H2,1H3,(H,18,20)(H,19,21);1H/t11-;/m0./s1
InChIKeyKZXYZTLCOXBWLM-MERQFXBCSA-N
XLogP1.80
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride 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-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46546691
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474980
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511
N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119655116
3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid
CID 119206961

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride (CID 120508273) is N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)COc1cccc(NC(=O)c2ccco2)c1.Cl.
What is the InChIKey of N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is KZXYZTLCOXBWLM-MERQFXBCSA-N. The full InChI is InChI=1S/C16H19N3O4.ClH/c1-11(9-17)18-15(20)10-23-13-5-2-4-12(8-13)19-16(21)14-6-3-7-22-14;/h2-8,11H,9-10,17H2,1H3,(H,18,20)(H,19,21);1H/t11-;/m0./s1.
What are the key properties of N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride?
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 353.81 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120508273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).