N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide

C22H23NO6 — CID 123212371

IUPACN-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2coc(C(=O)NC(COCc3ccccc3)C(O)O)c2)c1
InChIInChI=1S/C22H23NO6/c1-27-18-9-5-8-16(10-18)17-11-20(29-13-17)21(24)23-19(22(25)26)14-28-12-15-6-3-2-4-7-15/h2-11,13,19,22,25-26H,12,14H2,1H3,(H,23,24)
InChIKeyOMILELBLLJRZGO-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.58
Rot. Bonds9

About N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide

N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide (PubChem CID 123212371) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide
PubChem CID123212371
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC NameN-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2coc(C(=O)NC(COCc3ccccc3)C(O)O)c2)c1
InChIInChI=1S/C22H23NO6/c1-27-18-9-5-8-16(10-18)17-11-20(29-13-17)21(24)23-19(22(25)26)14-28-12-15-6-3-2-4-7-15/h2-11,13,19,22,25-26H,12,14H2,1H3,(H,23,24)
InChIKeyOMILELBLLJRZGO-UHFFFAOYSA-N
XLogP2.58
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 56596925
(2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid
CID 70652014
2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 56596844
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 70652039
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740
methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate
CID 155775583
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651372
benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
CID 54541379

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide (CID 123212371) is N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide is COc1cccc(-c2coc(C(=O)NC(COCc3ccccc3)C(O)O)c2)c1.
What is the InChIKey of N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide?
The InChIKey is OMILELBLLJRZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-27-18-9-5-8-16(10-18)17-11-20(29-13-17)21(24)23-19(22(25)26)14-28-12-15-6-3-2-4-7-15/h2-11,13,19,22,25-26H,12,14H2,1H3,(H,23,24).
What are the key properties of N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide?
N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 123212371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).