N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride

C13H22ClN3O3 — CID 120653406

IUPACN-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(C)NC(=O)c1ccoc1.Cl
InChIInChI=1S/C13H21N3O3.ClH/c1-4-14-9(2)7-15-12(17)10(3)16-13(18)11-5-6-19-8-11;/h5-6,8-10,14H,4,7H2,1-3H3,(H,15,17)(H,16,18);1H/t9-,10?;/m1./s1
InChIKeyVPNWOKVBPNCXFH-UVUXOWFKSA-N
MW303.79 g/mol
LogP0.93
Rot. Bonds7

About N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride

N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride (PubChem CID 120653406) has the molecular formula C13H22ClN3O3 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
PubChem CID120653406
Molecular FormulaC13H22ClN3O3
Molecular Weight303.79 g/mol
Exact Mass303.13
IUPAC NameN-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(C)NC(=O)c1ccoc1.Cl
InChIInChI=1S/C13H21N3O3.ClH/c1-4-14-9(2)7-15-12(17)10(3)16-13(18)11-5-6-19-8-11;/h5-6,8-10,14H,4,7H2,1-3H3,(H,15,17)(H,16,18);1H/t9-,10?;/m1./s1
InChIKeyVPNWOKVBPNCXFH-UVUXOWFKSA-N
XLogP0.93
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-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-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 110898699
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94812595
2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid
CID 119233505
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94177612
N-[2-(methylamino)propyl]furan-3-carboxamide
CID 103512728
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 119199037
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride (CID 120653406) is N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C(C)NC(=O)c1ccoc1.Cl.
What is the InChIKey of N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The InChIKey is VPNWOKVBPNCXFH-UVUXOWFKSA-N. The full InChI is InChI=1S/C13H21N3O3.ClH/c1-4-14-9(2)7-15-12(17)10(3)16-13(18)11-5-6-19-8-11;/h5-6,8-10,14H,4,7H2,1-3H3,(H,15,17)(H,16,18);1H/t9-,10?;/m1./s1.
What are the key properties of N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 120653406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).