(4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide

C21H23N3O2 — CID 24901642

IUPAC(4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide
SMILESN[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)Cn1cccc1
InChIInChI=1S/C21H23N3O2/c22-17(16-24-14-4-5-15-24)8-13-21(25)23-18-9-11-20(12-10-18)26-19-6-2-1-3-7-19/h1-7,9-12,14-15,17H,8,13,16,22H2,(H,23,25)/t17-/m0/s1
InChIKeyMFFXTUQUIRQOCK-KRWDZBQOSA-N
MW349.43 g/mol
LogP4.03
Rot. Bonds8

About (4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide

(4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide (PubChem CID 24901642) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide.

Molecular Properties

Compound Name(4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide
PubChem CID24901642
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide
SMILESN[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)Cn1cccc1
InChIInChI=1S/C21H23N3O2/c22-17(16-24-14-4-5-15-24)8-13-21(25)23-18-9-11-20(12-10-18)26-19-6-2-1-3-7-19/h1-7,9-12,14-15,17H,8,13,16,22H2,(H,23,25)/t17-/m0/s1
InChIKeyMFFXTUQUIRQOCK-KRWDZBQOSA-N
XLogP4.03
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide?
The IUPAC name of (4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide (CID 24901642) is (4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide.
What is the SMILES notation for (4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide?
The canonical SMILES for (4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide is N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)Cn1cccc1.
What is the InChIKey of (4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide?
The InChIKey is MFFXTUQUIRQOCK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-17(16-24-14-4-5-15-24)8-13-21(25)23-18-9-11-20(12-10-18)26-19-6-2-1-3-7-19/h1-7,9-12,14-15,17H,8,13,16,22H2,(H,23,25)/t17-/m0/s1.
What are the key properties of (4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide?
(4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide has a molecular weight of 349.43 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-N-(4-phenoxyphenyl)-5-pyrrol-1-ylpentanamide is sourced from PubChem (CID 24901642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).