2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide

C22H21N3O5 — CID 134032594

IUPAC2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide
SMILESCOc1ccccc1Oc1ccc(NC(C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C22H21N3O5/c1-15(22(26)24-17-6-5-7-18(14-17)25(27)28)23-16-10-12-19(13-11-16)30-21-9-4-3-8-20(21)29-2/h3-15,23H,1-2H3,(H,24,26)
InChIKeyWQFSIJLXWQCXHU-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.83
Rot. Bonds8

About 2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide

2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide (PubChem CID 134032594) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide
PubChem CID134032594
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide
SMILESCOc1ccccc1Oc1ccc(NC(C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C22H21N3O5/c1-15(22(26)24-17-6-5-7-18(14-17)25(27)28)23-16-10-12-19(13-11-16)30-21-9-4-3-8-20(21)29-2/h3-15,23H,1-2H3,(H,24,26)
InChIKeyWQFSIJLXWQCXHU-UHFFFAOYSA-N
XLogP4.83
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.83
H-Bond Donors ≤ 52
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)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
CID 9345649
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17396421
(2R)-2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41016115
(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 9172432
2-(3-chloro-4-methylanilino)-N-(3-nitrophenyl)propanamide
CID 46799452
N-[4-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351370
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-(3-nitrophenyl)propanamide
CID 2466995
N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511519
(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 9274223
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
3-nitro-N-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 9138986

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide?
The IUPAC name of 2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide (CID 134032594) is 2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide is COc1ccccc1Oc1ccc(NC(C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide?
The InChIKey is WQFSIJLXWQCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-15(22(26)24-17-6-5-7-18(14-17)25(27)28)23-16-10-12-19(13-11-16)30-21-9-4-3-8-20(21)29-2/h3-15,23H,1-2H3,(H,24,26).
What are the key properties of 2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide?
2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide has a molecular weight of 407.43 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 134032594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).