N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide

C18H22N2O4 — CID 7831628

IUPACN-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)[C@H](C)NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N2O4/c1-4-23-15-9-7-14(8-10-15)12-20(3)18(22)13(2)19-17(21)16-6-5-11-24-16/h5-11,13H,4,12H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyLSTYVNODIQXPSM-ZDUSSCGKSA-N
MW330.38 g/mol
LogP2.46
Rot. Bonds7

About N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 7831628) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID7831628
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)[C@H](C)NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N2O4/c1-4-23-15-9-7-14(8-10-15)12-20(3)18(22)13(2)19-17(21)16-6-5-11-24-16/h5-11,13H,4,12H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyLSTYVNODIQXPSM-ZDUSSCGKSA-N
XLogP2.46
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24545173
N-[1-[2-hydroxyethyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60652573
N-[1-[methyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47027180
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909197
N-[(2S)-1-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 34746254
N-[(2S)-1-[(4-ethylphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31234949
(3S)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 738792
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9417538
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 7831628) is N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide is CCOc1ccc(CN(C)C(=O)[C@H](C)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is LSTYVNODIQXPSM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-23-15-9-7-14(8-10-15)12-20(3)18(22)13(2)19-17(21)16-6-5-11-24-16/h5-11,13H,4,12H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7831628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).