(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

C18H18N2O6 — CID 7763855

IUPAC(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H18N2O6/c1-11(21)13-4-7-15(8-5-13)26-12(2)18(22)19-16-9-6-14(20(23)24)10-17(16)25-3/h4-10,12H,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyVXQLYVSDVBIUBB-LBPRGKRZSA-N
MW358.35 g/mol
LogP3.21
Rot. Bonds7

About (2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (PubChem CID 7763855) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is (2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
PubChem CID7763855
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H18N2O6/c1-11(21)13-4-7-15(8-5-13)26-12(2)18(22)19-16-9-6-14(20(23)24)10-17(16)25-3/h4-10,12H,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyVXQLYVSDVBIUBB-LBPRGKRZSA-N
XLogP3.21
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763707
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53267146
(2R)-2-(3,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 8580012
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983907
[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 7995141
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 8708857
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
[1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] benzoate
CID 17425338
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (CID 7763855) is (2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of (2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The InChIKey is VXQLYVSDVBIUBB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-11(21)13-4-7-15(8-5-13)26-12(2)18(22)19-16-9-6-14(20(23)24)10-17(16)25-3/h4-10,12H,1-3H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide has a molecular weight of 358.35 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is sourced from PubChem (CID 7763855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).