(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide

C18H18N2O6 — CID 7763707

IUPAC(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=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)19-16-10-14(20(23)24)6-9-17(16)25-3/h4-10,12H,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeySMBNXCMPWJOQPF-GFCCVEGCSA-N
MW358.35 g/mol
LogP3.21
Rot. Bonds7

About (2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide

(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide (PubChem CID 7763707) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is (2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
PubChem CID7763707
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=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)19-16-10-14(20(23)24)6-9-17(16)25-3/h4-10,12H,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeySMBNXCMPWJOQPF-GFCCVEGCSA-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

(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7763855
butyl 4-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7984416
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 2510158
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
(2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528122
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 2407615
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2591165
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide (CID 7763707) is (2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of (2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
The InChIKey is SMBNXCMPWJOQPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-11(21)13-4-7-15(8-5-13)26-12(2)18(22)19-16-10-14(20(23)24)6-9-17(16)25-3/h4-10,12H,1-3H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-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 (2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 7763707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).