(2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol

C20H29NO2 — CID 66673033

IUPAC(2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol
SMILESC[C@](N)(CO)CCc1ccc(CCCCCc2ccccc2)o1
InChIInChI=1S/C20H29NO2/c1-20(21,16-22)15-14-19-13-12-18(23-19)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,22H,3,6-7,10-11,14-16,21H2,1H3/t20-/m1/s1
InChIKeyAJPNYPKIEGHRPI-HXUWFJFHSA-N
MW315.46 g/mol
LogP3.88
Rot. Bonds10

About (2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol

(2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol (PubChem CID 66673033) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol
PubChem CID66673033
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol
SMILESC[C@](N)(CO)CCc1ccc(CCCCCc2ccccc2)o1
InChIInChI=1S/C20H29NO2/c1-20(21,16-22)15-14-19-13-12-18(23-19)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,22H,3,6-7,10-11,14-16,21H2,1H3/t20-/m1/s1
InChIKeyAJPNYPKIEGHRPI-HXUWFJFHSA-N
XLogP3.88
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one
CID 66672941
(2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol
CID 66672809
2-[(2R)-2-amino-2-methyl-4-[5-(5-phenylpentanoyl)furan-2-yl]butoxy]-2-oxoacetic acid
CID 90923704
1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-phenylpentan-1-one;(Z)-but-2-enedioic acid
CID 66672517
2-amino-2-methyl-4-[5-[(E)-6-phenylhex-1-enyl]thiophen-2-yl]butan-1-ol
CID 10132222
1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]-1-methylpyrrol-2-yl]-5-phenylpentan-1-one
CID 11359833
2-amino-2-methyl-6-(4-octylphenyl)hexan-1-ol
CID 22618767
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
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
2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol
CID 22279732

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol?
The IUPAC name of (2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol (CID 66673033) is (2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol?
The canonical SMILES for (2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol is C[C@](N)(CO)CCc1ccc(CCCCCc2ccccc2)o1.
What is the InChIKey of (2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol?
The InChIKey is AJPNYPKIEGHRPI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29NO2/c1-20(21,16-22)15-14-19-13-12-18(23-19)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,22H,3,6-7,10-11,14-16,21H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol?
(2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol has a molecular weight of 315.46 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol is sourced from PubChem (CID 66673033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).