N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide

C19H19NO4 — CID 97247610

IUPACN-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
SMILESC[C@@H](C[C@H](O)c1ccco1)NC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C19H19NO4/c1-13(12-16(21)17-8-5-10-23-17)20-19(22)18-15(9-11-24-18)14-6-3-2-4-7-14/h2-11,13,16,21H,12H2,1H3,(H,20,22)/t13-,16-/m0/s1
InChIKeySDPLTTIAGXRTSM-BBRMVZONSA-N
MW325.36 g/mol
LogP3.78
Rot. Bonds6

About N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide

N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide (PubChem CID 97247610) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
PubChem CID97247610
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
SMILESC[C@@H](C[C@H](O)c1ccco1)NC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C19H19NO4/c1-13(12-16(21)17-8-5-10-23-17)20-19(22)18-15(9-11-24-18)14-6-3-2-4-7-14/h2-11,13,16,21H,12H2,1H3,(H,20,22)/t13-,16-/m0/s1
InChIKeySDPLTTIAGXRTSM-BBRMVZONSA-N
XLogP3.78
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide
CID 99589419
(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136802083
N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide
CID 47012609
N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide
CID 109479214
N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide
CID 47091747
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-phenylfuran-2-carboxamide
CID 94798688
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 97247644
(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695237
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 107832817
N-(3-hydroxypentyl)-3-phenylfuran-2-carboxamide
CID 115703850

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide (CID 97247610) is N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide is C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1occc1-c1ccccc1.
What is the InChIKey of N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide?
The InChIKey is SDPLTTIAGXRTSM-BBRMVZONSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(12-16(21)17-8-5-10-23-17)20-19(22)18-15(9-11-24-18)14-6-3-2-4-7-14/h2-11,13,16,21H,12H2,1H3,(H,20,22)/t13-,16-/m0/s1.
What are the key properties of N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide?
N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 97247610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).