N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride

C20H28ClN3O3 — CID 119642471

IUPACN-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(Cc1ccccc1)NC(=O)c1ccco1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-3-20(21,4-2)14-22-18(24)16(13-15-9-6-5-7-10-15)23-19(25)17-11-8-12-26-17;/h5-12,16H,3-4,13-14,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyKJVWXJVZAIDRLO-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.68
Rot. Bonds9

About N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride

N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 119642471) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID119642471
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC NameN-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(Cc1ccccc1)NC(=O)c1ccco1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-3-20(21,4-2)14-22-18(24)16(13-15-9-6-5-7-10-15)23-19(25)17-11-8-12-26-17;/h5-12,16H,3-4,13-14,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyKJVWXJVZAIDRLO-UHFFFAOYSA-N
XLogP2.68
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46476107
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524
2-[2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241703
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride (CID 119642471) is N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C(Cc1ccccc1)NC(=O)c1ccco1.Cl.
What is the InChIKey of N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is KJVWXJVZAIDRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-3-20(21,4-2)14-22-18(24)16(13-15-9-6-5-7-10-15)23-19(25)17-11-8-12-26-17;/h5-12,16H,3-4,13-14,21H2,1-2H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride?
N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-2-ethylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119642471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).