[(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium

C19H24N3O4+ — CID 8938097

IUPAC[(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium
SMILESCCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O4/c1-4-26-18-11-10-15(12-17(18)22(24)25)19(23)20-16(13-21(2)3)14-8-6-5-7-9-14/h5-12,16H,4,13H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1
InChIKeySLNHTDYYQFOBAP-INIZCTEOSA-O
MW358.42 g/mol
LogP1.61
Rot. Bonds8

About [(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium

[(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium (PubChem CID 8938097) has the molecular formula C19H24N3O4+ and a molecular weight of 358.42 g/mol. Its IUPAC name is [(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium
PubChem CID8938097
Molecular FormulaC19H24N3O4+
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name[(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium
SMILESCCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O4/c1-4-26-18-11-10-15(12-17(18)22(24)25)19(23)20-16(13-21(2)3)14-8-6-5-7-9-14/h5-12,16H,4,13H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1
InChIKeySLNHTDYYQFOBAP-INIZCTEOSA-O
XLogP1.61
TPSA85.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-ethoxy-N-[1-(4-methylphenyl)propyl]-3-nitrobenzamide
CID 84999684
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
dimethyl-[(2S)-2-[(4-nitrobenzoyl)amino]-2-phenylethyl]azanium
CID 8936075
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
ethyl 3-[(4-ethoxy-3-nitrobenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55878599
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethoxy-3-nitrobenzamide
CID 9392488
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-3-nitrobenzamide
CID 110001808
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-ethoxy-3-nitrobenzamide
CID 35065979
4-hydroxy-N-(2-methoxy-1-phenylethyl)-3-nitrobenzamide
CID 102561312
4-ethoxy-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120827071
N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethoxy-3-nitrobenzamide
CID 24625895
4-ethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-nitrobenzamide
CID 24613770

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium (CID 8938097) is [(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium is CCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of [(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium?
The InChIKey is SLNHTDYYQFOBAP-INIZCTEOSA-O. The full InChI is InChI=1S/C19H23N3O4/c1-4-26-18-11-10-15(12-17(18)22(24)25)19(23)20-16(13-21(2)3)14-8-6-5-7-9-14/h5-12,16H,4,13H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1.
What are the key properties of [(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium?
[(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium has a molecular weight of 358.42 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8938097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).