N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide

C18H23NO3 — CID 97071411

IUPACN-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)o1
InChIInChI=1S/C18H23NO3/c1-13(12-17(20)15-6-4-3-5-7-15)19-18(21)11-10-16-9-8-14(2)22-16/h3-9,13,17,20H,10-12H2,1-2H3,(H,19,21)/t13-,17+/m0/s1
InChIKeyPWELAQKTKCJXGY-SUMWQHHRSA-N
MW301.39 g/mol
LogP3.15
Rot. Bonds7

About N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide

N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide (PubChem CID 97071411) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide
PubChem CID97071411
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)o1
InChIInChI=1S/C18H23NO3/c1-13(12-17(20)15-6-4-3-5-7-15)19-18(21)11-10-16-9-8-14(2)22-16/h3-9,13,17,20H,10-12H2,1-2H3,(H,19,21)/t13-,17+/m0/s1
InChIKeyPWELAQKTKCJXGY-SUMWQHHRSA-N
XLogP3.15
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-hydroxy-4-phenylbutan-2-yl)butanamide
CID 119337613
N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
CID 109478424
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 97019509
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
4-[(4-hydroxy-4-phenylbutan-2-yl)carbamoylamino]butanoic acid
CID 122022223
3-[3-(furan-2-yl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218976
N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 71919972
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97228090
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride
CID 120501802
(1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol
CID 112742110
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide (CID 97071411) is N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)o1.
What is the InChIKey of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is PWELAQKTKCJXGY-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(12-17(20)15-6-4-3-5-7-15)19-18(21)11-10-16-9-8-14(2)22-16/h3-9,13,17,20H,10-12H2,1-2H3,(H,19,21)/t13-,17+/m0/s1.
What are the key properties of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide?
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 97071411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).