(4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide

C17H21N3O2 — CID 24901637

IUPAC(4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide
SMILESNC[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21N3O2/c18-12-13(19)6-11-17(21)20-14-7-9-16(10-8-14)22-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,18-19H2,(H,20,21)/t13-/m0/s1
InChIKeyYUSYHJFOQGXULG-ZDUSSCGKSA-N
MW299.37 g/mol
LogP2.48
Rot. Bonds7

About (4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide

(4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide (PubChem CID 24901637) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide.

Molecular Properties

Compound Name(4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide
PubChem CID24901637
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide
SMILESNC[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21N3O2/c18-12-13(19)6-11-17(21)20-14-7-9-16(10-8-14)22-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,18-19H2,(H,20,21)/t13-/m0/s1
InChIKeyYUSYHJFOQGXULG-ZDUSSCGKSA-N
XLogP2.48
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide?
The IUPAC name of (4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide (CID 24901637) is (4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide.
What is the SMILES notation for (4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide?
The canonical SMILES for (4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide is NC[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide?
The InChIKey is YUSYHJFOQGXULG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-12-13(19)6-11-17(21)20-14-7-9-16(10-8-14)22-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,18-19H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide?
(4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide has a molecular weight of 299.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide is sourced from PubChem (CID 24901637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).