(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide

C19H22N2O5 — CID 7931851

IUPAC(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H22N2O5/c1-11-8-12(2)18(13(3)9-11)20-19(22)14(4)26-17-10-15(21(23)24)6-7-16(17)25-5/h6-10,14H,1-5H3,(H,20,22)/t14-/m0/s1
InChIKeyFPWDIFQQOKPSQK-AWEZNQCLSA-N
MW358.39 g/mol
LogP3.93
Rot. Bonds6

About (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide

(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 7931851) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID7931851
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H22N2O5/c1-11-8-12(2)18(13(3)9-11)20-19(22)14(4)26-17-10-15(21(23)24)6-7-16(17)25-5/h6-10,14H,1-5H3,(H,20,22)/t14-/m0/s1
InChIKeyFPWDIFQQOKPSQK-AWEZNQCLSA-N
XLogP3.93
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.93
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

(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947249
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
(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)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7409517
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931796

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide (CID 7931851) is (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide is COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is FPWDIFQQOKPSQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11-8-12(2)18(13(3)9-11)20-19(22)14(4)26-17-10-15(21(23)24)6-7-16(17)25-5/h6-10,14H,1-5H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 358.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 7931851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).