N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C18H22N2O4 — CID 110004082

IUPACN-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC(CO)Cc2ccccc2)c(C)o1
InChIInChI=1S/C18H22N2O4/c1-12-8-16(13(2)24-12)18(23)19-10-17(22)20-15(11-21)9-14-6-4-3-5-7-14/h3-8,15,21H,9-11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyKPFVOJGIHZGEII-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.35
Rot. Bonds7

About N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 110004082) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID110004082
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC(CO)Cc2ccccc2)c(C)o1
InChIInChI=1S/C18H22N2O4/c1-12-8-16(13(2)24-12)18(23)19-10-17(22)20-15(11-21)9-14-6-4-3-5-7-14/h3-8,15,21H,9-11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyKPFVOJGIHZGEII-UHFFFAOYSA-N
XLogP1.35
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55883820
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
N-[2-[(2-hydroxy-2-phenylpropyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111335106
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 27762316
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea
CID 134006560
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide
CID 48500676
N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55917649
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731
2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 55893760
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 110004082) is N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)NC(CO)Cc2ccccc2)c(C)o1.
What is the InChIKey of N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is KPFVOJGIHZGEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-8-16(13(2)24-12)18(23)19-10-17(22)20-15(11-21)9-14-6-4-3-5-7-14/h3-8,15,21H,9-11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 110004082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).