N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide

C19H23N3O4 — CID 18167201

IUPACN-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-3-21(4-2)17(14-8-6-5-7-9-14)13-20-19(24)15-10-11-16(22(25)26)18(23)12-15/h5-12,17,23H,3-4,13H2,1-2H3,(H,20,24)
InChIKeyKJLLNYWVLHDTTI-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.11
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide

N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide (PubChem CID 18167201) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide
PubChem CID18167201
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-3-21(4-2)17(14-8-6-5-7-9-14)13-20-19(24)15-10-11-16(22(25)26)18(23)12-15/h5-12,17,23H,3-4,13H2,1-2H3,(H,20,24)
InChIKeyKJLLNYWVLHDTTI-UHFFFAOYSA-N
XLogP3.11
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-hydroxy-4-nitrobenzamide
CID 24640224
4-(cyclopropylamino)-N-[2-(diethylamino)-2-phenylethyl]-3-nitrobenzamide
CID 24659100
3-hydroxy-N-(2-methylsulfinylpropyl)-4-nitrobenzamide
CID 103846983
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
N-(2,2-dicyclopropylethyl)-3-hydroxy-4-nitrobenzamide
CID 103711997
4-(cyclopropylamino)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-nitrobenzamide
CID 25414595
3-hydroxy-N-(3-methylbutyl)-4-nitrobenzamide
CID 27556731
N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097
N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18167164

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide (CID 18167201) is N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide is CCN(CC)C(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide?
The InChIKey is KJLLNYWVLHDTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-21(4-2)17(14-8-6-5-7-9-14)13-20-19(24)15-10-11-16(22(25)26)18(23)12-15/h5-12,17,23H,3-4,13H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide?
N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide has a molecular weight of 357.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide is sourced from PubChem (CID 18167201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).