N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide

C19H23N3O5 — CID 13030866

IUPACN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCNCC(O)COc1ccccc1
InChIInChI=1S/C19H23N3O5/c23-17(14-27-18-4-2-1-3-5-18)13-20-10-11-21-19(24)12-15-6-8-16(9-7-15)22(25)26/h1-9,17,20,23H,10-14H2,(H,21,24)
InChIKeyDZZPHTIXGMLMGJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.28
Rot. Bonds11

About N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide

N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 13030866) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide
PubChem CID13030866
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCNCC(O)COc1ccccc1
InChIInChI=1S/C19H23N3O5/c23-17(14-27-18-4-2-1-3-5-18)13-20-10-11-21-19(24)12-15-6-8-16(9-7-15)22(25)26/h1-9,17,20,23H,10-14H2,(H,21,24)
InChIKeyDZZPHTIXGMLMGJ-UHFFFAOYSA-N
XLogP1.28
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide (CID 13030866) is N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCCNCC(O)COc1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is DZZPHTIXGMLMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c23-17(14-27-18-4-2-1-3-5-18)13-20-10-11-21-19(24)12-15-6-8-16(9-7-15)22(25)26/h1-9,17,20,23H,10-14H2,(H,21,24).
What are the key properties of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide?
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 1.28, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 13030866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).