3-amino-1-methoxy-7-phenylheptan-4-one

C14H21NO2 — CID 116567219

IUPAC3-amino-1-methoxy-7-phenylheptan-4-one
SMILESCOCCC(N)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-17-11-10-13(15)14(16)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3
InChIKeyJXZRKPGMKGJZGK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds8

About 3-amino-1-methoxy-7-phenylheptan-4-one

3-amino-1-methoxy-7-phenylheptan-4-one (PubChem CID 116567219) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-1-methoxy-7-phenylheptan-4-one.

Molecular Properties

Compound Name3-amino-1-methoxy-7-phenylheptan-4-one
PubChem CID116567219
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-amino-1-methoxy-7-phenylheptan-4-one
SMILESCOCCC(N)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-17-11-10-13(15)14(16)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3
InChIKeyJXZRKPGMKGJZGK-UHFFFAOYSA-N
XLogP1.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxypropyl (2S)-2-amino-4-phenylbutanoate
CID 104983520
benzyl 2-amino-4-methoxybutanoate
CID 62479875
5-amino-1-phenyloct-7-en-4-one
CID 116606858
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
methyl 2-amino-6-phenylhexanoate
CID 76830671
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
methyl 3-oxo-2-(2-phenylethyl)octanoate
CID 18370999
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide
CID 104984805
1-methoxy-1,5-diphenylpentan-2-one
CID 116751355
5-methoxy-1-phenylheptan-4-one
CID 116707095
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
CID 63261191

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methoxy-7-phenylheptan-4-one?
The IUPAC name of 3-amino-1-methoxy-7-phenylheptan-4-one (CID 116567219) is 3-amino-1-methoxy-7-phenylheptan-4-one.
What is the SMILES notation for 3-amino-1-methoxy-7-phenylheptan-4-one?
The canonical SMILES for 3-amino-1-methoxy-7-phenylheptan-4-one is COCCC(N)C(=O)CCCc1ccccc1.
What is the InChIKey of 3-amino-1-methoxy-7-phenylheptan-4-one?
The InChIKey is JXZRKPGMKGJZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-11-10-13(15)14(16)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3.
What are the key properties of 3-amino-1-methoxy-7-phenylheptan-4-one?
3-amino-1-methoxy-7-phenylheptan-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methoxy-7-phenylheptan-4-one is sourced from PubChem (CID 116567219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).