1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one

C20H27NO3 — CID 66672941

IUPAC1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one
SMILESC[C@](N)(CO)CCc1ccc(C(=O)CCCCc2ccccc2)o1
InChIInChI=1S/C20H27NO3/c1-20(21,15-22)14-13-17-11-12-19(24-17)18(23)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-12,22H,5-6,9-10,13-15,21H2,1H3/t20-/m1/s1
InChIKeyRQMFKVOCXBOPKK-HXUWFJFHSA-N
MW329.44 g/mol
LogP3.52
Rot. Bonds10

About 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one

1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one (PubChem CID 66672941) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one
PubChem CID66672941
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one
SMILESC[C@](N)(CO)CCc1ccc(C(=O)CCCCc2ccccc2)o1
InChIInChI=1S/C20H27NO3/c1-20(21,15-22)14-13-17-11-12-19(24-17)18(23)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-12,22H,5-6,9-10,13-15,21H2,1H3/t20-/m1/s1
InChIKeyRQMFKVOCXBOPKK-HXUWFJFHSA-N
XLogP3.52
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol
CID 66673033
2-[(2R)-2-amino-2-methyl-4-[5-(5-phenylpentanoyl)furan-2-yl]butoxy]-2-oxoacetic acid
CID 90923704
1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]-1-methylpyrrol-2-yl]-5-phenylpentan-1-one
CID 11359833
1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-phenylpentan-1-one;(Z)-but-2-enedioic acid
CID 66672517
1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chlorothiophen-2-yl]-5-phenylpentan-1-one
CID 11485789
1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-1-methylpyrrol-2-yl]-5-phenylpentan-1-one
CID 11211108
2-amino-4-(4-heptoxyphenyl)-2-methylbutan-1-ol;1-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]octan-1-one;2-amino-2-methyl-4-[4-(4-phenylbutoxy)phenyl]butan-1-ol;hydrochloride
CID 160514502
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one
CID 116590055
(2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol
CID 66672809
1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-(4-methoxyphenyl)pentan-1-one
CID 22279678
1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-(4-ethoxyphenyl)pentan-1-one
CID 22279850

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one?
The IUPAC name of 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one (CID 66672941) is 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one.
What is the SMILES notation for 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one?
The canonical SMILES for 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one is C[C@](N)(CO)CCc1ccc(C(=O)CCCCc2ccccc2)o1.
What is the InChIKey of 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one?
The InChIKey is RQMFKVOCXBOPKK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27NO3/c1-20(21,15-22)14-13-17-11-12-19(24-17)18(23)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-12,22H,5-6,9-10,13-15,21H2,1H3/t20-/m1/s1.
What are the key properties of 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one?
1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one has a molecular weight of 329.44 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one is sourced from PubChem (CID 66672941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).