N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride

C16H20ClN3O3 — CID 119528888

IUPACN-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccco1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-11(19-16(21)14-8-5-9-22-14)15(20)18-10-13(17)12-6-3-2-4-7-12;/h2-9,11,13H,10,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyGUBOATBSSJBSBC-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.64
Rot. Bonds6

About N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride

N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 119528888) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID119528888
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC NameN-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccco1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-11(19-16(21)14-8-5-9-22-14)15(20)18-10-13(17)12-6-3-2-4-7-12;/h2-9,11,13H,10,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyGUBOATBSSJBSBC-UHFFFAOYSA-N
XLogP1.64
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[1-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 119526649
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[1-oxo-1-[3-(1-phenylethoxy)propylamino]propan-2-yl]furan-2-carboxamide
CID 46536778
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119527410
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride (CID 119528888) is N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride is CC(NC(=O)c1ccco1)C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is GUBOATBSSJBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-11(19-16(21)14-8-5-9-22-14)15(20)18-10-13(17)12-6-3-2-4-7-12;/h2-9,11,13H,10,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.64, 6 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-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119528888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).