5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide

C18H22N2O5 — CID 97246805

IUPAC5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide
SMILESCOc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(CNC(C)=O)o2)cc1
InChIInChI=1S/C18H22N2O5/c1-11(17(22)13-4-6-14(24-3)7-5-13)20-18(23)16-9-8-15(25-16)10-19-12(2)21/h4-9,11,17,22H,10H2,1-3H3,(H,19,21)(H,20,23)/t11-,17-/m1/s1
InChIKeyGZXBJJMLWZLQLE-PIGZYNQJSA-N
MW346.38 g/mol
LogP1.78
Rot. Bonds7

About 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide

5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide (PubChem CID 97246805) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide
PubChem CID97246805
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide
SMILESCOc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(CNC(C)=O)o2)cc1
InChIInChI=1S/C18H22N2O5/c1-11(17(22)13-4-6-14(24-3)7-5-13)20-18(23)16-9-8-15(25-16)10-19-12(2)21/h4-9,11,17,22H,10H2,1-3H3,(H,19,21)(H,20,23)/t11-,17-/m1/s1
InChIKeyGZXBJJMLWZLQLE-PIGZYNQJSA-N
XLogP1.78
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
benzyl-[(4-methoxyphenyl)methyl]-[[5-[[(2S)-3-methylbutan-2-yl]carbamoyl]furan-2-yl]methyl]azanium
CID 7417814
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 7417815
5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide
CID 96525205
5-[(2-methoxyphenoxy)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529733
5-[(2-methoxyphenoxy)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529730
5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 113221625
2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide
CID 110028188
N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 17464665
N-[(1S,2R)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411974
N-[(1S,2S)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411973

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide (CID 97246805) is 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide is COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(CNC(C)=O)o2)cc1.
What is the InChIKey of 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide?
The InChIKey is GZXBJJMLWZLQLE-PIGZYNQJSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-11(17(22)13-4-6-14(24-3)7-5-13)20-18(23)16-9-8-15(25-16)10-19-12(2)21/h4-9,11,17,22H,10H2,1-3H3,(H,19,21)(H,20,23)/t11-,17-/m1/s1.
What are the key properties of 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide?
5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 97246805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).