N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide

C20H22N2O4 — CID 95228784

IUPACN-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide
SMILESCC[C@@H](CO)N(Cc1ccco1)C(=O)c1cc(-n2cccc2)ccc1O
InChIInChI=1S/C20H22N2O4/c1-2-15(14-23)22(13-17-6-5-11-26-17)20(25)18-12-16(7-8-19(18)24)21-9-3-4-10-21/h3-12,15,23-24H,2,13-14H2,1H3/t15-/m0/s1
InChIKeyXWRYKBMTLKZBOW-HNNXBMFYSA-N
MW354.41 g/mol
LogP3.19
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide

N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide (PubChem CID 95228784) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide
PubChem CID95228784
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide
SMILESCC[C@@H](CO)N(Cc1ccco1)C(=O)c1cc(-n2cccc2)ccc1O
InChIInChI=1S/C20H22N2O4/c1-2-15(14-23)22(13-17-6-5-11-26-17)20(25)18-12-16(7-8-19(18)24)21-9-3-4-10-21/h3-12,15,23-24H,2,13-14H2,1H3/t15-/m0/s1
InChIKeyXWRYKBMTLKZBOW-HNNXBMFYSA-N
XLogP3.19
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 50962627
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
CID 50964980
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 45235611
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-[4-(methylamino)phenyl]benzamide
CID 118778400
N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide
CID 125171573
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 46994383
3-(2H-benzotriazol-5-yl)-1-(furan-2-ylmethyl)-1-[(2S)-1-hydroxybutan-2-yl]urea
CID 125155612
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 98310107
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 98310106
2-[furan-2-ylmethyl(methyl)amino]butanoic acid
CID 43809005
3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide
CID 112501488
N-(furan-2-ylmethyl)-N,4-dimethyl-3-pyrrol-1-ylbenzamide
CID 18135649

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide (CID 95228784) is N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide is CC[C@@H](CO)N(Cc1ccco1)C(=O)c1cc(-n2cccc2)ccc1O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide?
The InChIKey is XWRYKBMTLKZBOW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-15(14-23)22(13-17-6-5-11-26-17)20(25)18-12-16(7-8-19(18)24)21-9-3-4-10-21/h3-12,15,23-24H,2,13-14H2,1H3/t15-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide?
N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide is sourced from PubChem (CID 95228784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).