2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one

C25H27NO2 — CID 19381349

IUPAC2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one
SMILESNC(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCCc1ccccc1
InChIInChI=1S/C25H27NO2/c26-24(25(27)13-7-12-20-8-3-1-4-9-20)18-21-14-16-23(17-15-21)28-19-22-10-5-2-6-11-22/h1-6,8-11,14-17,24H,7,12-13,18-19,26H2
InChIKeyNFMNRWJMDPSYJO-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.73
Rot. Bonds10

About 2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one

2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one (PubChem CID 19381349) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one.

Molecular Properties

Compound Name2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one
PubChem CID19381349
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one
SMILESNC(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCCc1ccccc1
InChIInChI=1S/C25H27NO2/c26-24(25(27)13-7-12-20-8-3-1-4-9-20)18-21-14-16-23(17-15-21)28-19-22-10-5-2-6-11-22/h1-6,8-11,14-17,24H,7,12-13,18-19,26H2
InChIKeyNFMNRWJMDPSYJO-UHFFFAOYSA-N
XLogP4.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride
CID 67808775
(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 131720927
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
8-(4-phenylmethoxyphenoxy)octyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 16720426
(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 67871370
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride
CID 67808687
[1-[2-[2-azaniumyl-3-(4-phenylmethoxyphenyl)propanoyl]oxyethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium
CID 140799601
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
(2S)-2-amino-3-(4-phenylmethoxyphenyl)propane-1,1-diol
CID 130242612
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one?
The IUPAC name of 2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one (CID 19381349) is 2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one.
What is the SMILES notation for 2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one?
The canonical SMILES for 2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one is NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCCc1ccccc1.
What is the InChIKey of 2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one?
The InChIKey is NFMNRWJMDPSYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c26-24(25(27)13-7-12-20-8-3-1-4-9-20)18-21-14-16-23(17-15-21)28-19-22-10-5-2-6-11-22/h1-6,8-11,14-17,24H,7,12-13,18-19,26H2.
What are the key properties of 2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one?
2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one has a molecular weight of 373.50 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one is sourced from PubChem (CID 19381349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).