N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C19H22N2O4 — CID 111445302

IUPACN-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCC1(O)CCC1)c1ccco1
InChIInChI=1S/C19H22N2O4/c22-17(20-13-19(24)9-5-10-19)15(12-14-6-2-1-3-7-14)21-18(23)16-8-4-11-25-16/h1-4,6-8,11,15,24H,5,9-10,12-13H2,(H,20,22)(H,21,23)
InChIKeyAXPZMMYYEUPEBK-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.65
Rot. Bonds7

About N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 111445302) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID111445302
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC NameN-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCC1(O)CCC1)c1ccco1
InChIInChI=1S/C19H22N2O4/c22-17(20-13-19(24)9-5-10-19)15(12-14-6-2-1-3-7-14)21-18(23)16-8-4-11-25-16/h1-4,6-8,11,15,24H,5,9-10,12-13H2,(H,20,22)(H,21,23)
InChIKeyAXPZMMYYEUPEBK-UHFFFAOYSA-N
XLogP1.65
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71917838
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
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-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 120888678
N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64866996
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 110427475
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 111445302) is N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)NCC1(O)CCC1)c1ccco1.
What is the InChIKey of N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is AXPZMMYYEUPEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-17(20-13-19(24)9-5-10-19)15(12-14-6-2-1-3-7-14)21-18(23)16-8-4-11-25-16/h1-4,6-8,11,15,24H,5,9-10,12-13H2,(H,20,22)(H,21,23).
What are the key properties of N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 111445302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).