(3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one

C19H23NO2 — CID 129064445

IUPAC(3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one
SMILESCCCCOc1ccc([C@H](N)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-2-3-13-22-17-11-9-15(10-12-17)18(20)14-19(21)16-7-5-4-6-8-16/h4-12,18H,2-3,13-14,20H2,1H3/t18-/m1/s1
InChIKeyAATCNKCWEYGDPJ-GOSISDBHSA-N
MW297.40 g/mol
LogP4.14
Rot. Bonds8

About (3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one

(3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one (PubChem CID 129064445) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one
PubChem CID129064445
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one
SMILESCCCCOc1ccc([C@H](N)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-2-3-13-22-17-11-9-15(10-12-17)18(20)14-19(21)16-7-5-4-6-8-16/h4-12,18H,2-3,13-14,20H2,1H3/t18-/m1/s1
InChIKeyAATCNKCWEYGDPJ-GOSISDBHSA-N
XLogP4.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-3-(4-butoxyphenyl)propanoate
CID 4715172
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
1,5-bis(4-pentoxyphenyl)-3-phenylpentane-1,5-dione
CID 3785979
3-(4-butoxyphenyl)-3-(4-iodoanilino)-1-phenylpropan-1-one
CID 3897181
pentyl 3-amino-3-phenylpropanoate;hydrochloride
CID 3071047
acetic acid;butoxybenzene
CID 162338086
butyl 2-benzoyl-4-oxo-4-phenylbutanoate
CID 101230883
3-amino-1-phenyloctadecan-1-one
CID 54040118
3-(4-butylphenoxy)-1-phenylpropan-1-one
CID 116692186
2-hydroxy-4-(4-octoxyphenyl)-4-oxobutanoic acid
CID 70679366
1-(4-butoxyphenyl)-2-phenylpropan-1-one
CID 101074435
2-(3-butoxyphenoxy)-1-phenylethanone
CID 15692245

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of (3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one (CID 129064445) is (3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for (3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one is CCCCOc1ccc([C@H](N)CC(=O)c2ccccc2)cc1.
What is the InChIKey of (3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one?
The InChIKey is AATCNKCWEYGDPJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-3-13-22-17-11-9-15(10-12-17)18(20)14-19(21)16-7-5-4-6-8-16/h4-12,18H,2-3,13-14,20H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one?
(3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one has a molecular weight of 297.40 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 129064445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).