(4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide

C18H22N2O3 — CID 24901638

IUPAC(4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide
SMILESCOC[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-22-13-14(19)7-12-18(21)20-15-8-10-17(11-9-15)23-16-5-3-2-4-6-16/h2-6,8-11,14H,7,12-13,19H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyTYYSYXVLDHTIGO-AWEZNQCLSA-N
MW314.38 g/mol
LogP3.17
Rot. Bonds8

About (4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide

(4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide (PubChem CID 24901638) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide
PubChem CID24901638
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide
SMILESCOC[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-22-13-14(19)7-12-18(21)20-15-8-10-17(11-9-15)23-16-5-3-2-4-6-16/h2-6,8-11,14H,7,12-13,19H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyTYYSYXVLDHTIGO-AWEZNQCLSA-N
XLogP3.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide?
The IUPAC name of (4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide (CID 24901638) is (4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide.
What is the SMILES notation for (4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide?
The canonical SMILES for (4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide is COC[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide?
The InChIKey is TYYSYXVLDHTIGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-13-14(19)7-12-18(21)20-15-8-10-17(11-9-15)23-16-5-3-2-4-6-16/h2-6,8-11,14H,7,12-13,19H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide?
(4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide has a molecular weight of 314.38 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-methoxy-N-(4-phenoxyphenyl)pentanamide is sourced from PubChem (CID 24901638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).