4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide

C19H22N2O5 — CID 9264106

IUPAC4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O5/c1-5-26-18-9-7-14(11-16(18)21(23)24)19(22)20-13(3)15-10-12(2)6-8-17(15)25-4/h6-11,13H,5H2,1-4H3,(H,20,22)/t13-/m0/s1
InChIKeyKOPYGNAZLAGSRZ-ZDUSSCGKSA-N
MW358.39 g/mol
LogP3.80
Rot. Bonds7

About 4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide

4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide (PubChem CID 9264106) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide
PubChem CID9264106
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O5/c1-5-26-18-9-7-14(11-16(18)21(23)24)19(22)20-13(3)15-10-12(2)6-8-17(15)25-4/h6-11,13H,5H2,1-4H3,(H,20,22)/t13-/m0/s1
InChIKeyKOPYGNAZLAGSRZ-ZDUSSCGKSA-N
XLogP3.80
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
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-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(methylamino)-3-nitrobenzamide
CID 9263243
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethoxy-3-nitrobenzamide
CID 9392488
6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide
CID 52501301
4-ethoxy-N-[1-(4-methylphenyl)propyl]-3-nitrobenzamide
CID 84999684
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitrobenzamide
CID 51207644
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethoxy-3-nitrobenzamide
CID 24625895
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 9392138
methyl 3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]-5-nitrobenzoate
CID 9262366
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-3-nitrobenzamide
CID 9478299
4-chloro-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-nitrobenzamide
CID 27677633
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide?
The IUPAC name of 4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide (CID 9264106) is 4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide?
The canonical SMILES for 4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide is CCOc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide?
The InChIKey is KOPYGNAZLAGSRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-5-26-18-9-7-14(11-16(18)21(23)24)19(22)20-13(3)15-10-12(2)6-8-17(15)25-4/h6-11,13H,5H2,1-4H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide?
4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide has a molecular weight of 358.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide is sourced from PubChem (CID 9264106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).