(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide

C19H22N2O5 — CID 30393331

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C19H22N2O5/c1-5-16(26-17-8-6-7-12(2)13(17)3)19(22)20-15-11-14(21(23)24)9-10-18(15)25-4/h6-11,16H,5H2,1-4H3,(H,20,22)/t16-/m0/s1
InChIKeyUXSFLNBKEPKTHN-INIZCTEOSA-N
MW358.39 g/mol
LogP4.02
Rot. Bonds7

About (2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide

(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide (PubChem CID 30393331) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
PubChem CID30393331
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C19H22N2O5/c1-5-16(26-17-8-6-7-12(2)13(17)3)19(22)20-15-11-14(21(23)24)9-10-18(15)25-4/h6-11,16H,5H2,1-4H3,(H,20,22)/t16-/m0/s1
InChIKeyUXSFLNBKEPKTHN-INIZCTEOSA-N
XLogP4.02
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 ≤ 54.02
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

2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46763828
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28567804
(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 94019296
(2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide
CID 92684102
(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 93486925
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46771310
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 132652338
methyl 2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-4,5-dimethoxybenzoate
CID 28631989
(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 9172432

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide (CID 30393331) is (2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide?
The InChIKey is UXSFLNBKEPKTHN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-5-16(26-17-8-6-7-12(2)13(17)3)19(22)20-15-11-14(21(23)24)9-10-18(15)25-4/h6-11,16H,5H2,1-4H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide has a molecular weight of 358.39 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide is sourced from PubChem (CID 30393331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).