(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide

C17H18N2O6 — CID 8947121

IUPAC(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C17H18N2O6/c1-11(17(20)18-12-4-7-14(23-2)8-5-12)25-16-10-13(19(21)22)6-9-15(16)24-3/h4-11H,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyIHVDBLXARDFXHV-NSHDSACASA-N
MW346.34 g/mol
LogP3.02
Rot. Bonds7

About (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide

(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide (PubChem CID 8947121) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
PubChem CID8947121
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C17H18N2O6/c1-11(17(20)18-12-4-7-14(23-2)8-5-12)25-16-10-13(19(21)22)6-9-15(16)24-3/h4-11H,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyIHVDBLXARDFXHV-NSHDSACASA-N
XLogP3.02
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.02
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-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931785
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947242
(2S)-2-(2-methoxy-5-nitrophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 7931835
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931796
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7931851
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
CID 139678187

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide (CID 8947121) is (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)Oc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide?
The InChIKey is IHVDBLXARDFXHV-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N2O6/c1-11(17(20)18-12-4-7-14(23-2)8-5-12)25-16-10-13(19(21)22)6-9-15(16)24-3/h4-11H,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide?
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide has a molecular weight of 346.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 8947121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).