N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide

C24H25N3O5 — CID 18672595

IUPACN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)cc1OCCN(C)C
InChIInChI=1S/C24H25N3O5/c1-26(2)13-14-32-23-16-20(11-12-22(23)31-3)25-24(28)18-9-7-17(8-10-18)19-5-4-6-21(15-19)27(29)30/h4-12,15-16H,13-14H2,1-3H3,(H,25,28)
InChIKeyLROMUGOTCKAJIE-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.46
Rot. Bonds9

About N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide

N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide (PubChem CID 18672595) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide
PubChem CID18672595
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)cc1OCCN(C)C
InChIInChI=1S/C24H25N3O5/c1-26(2)13-14-32-23-16-20(11-12-22(23)31-3)25-24(28)18-9-7-17(8-10-18)19-5-4-6-21(15-19)27(29)30/h4-12,15-16H,13-14H2,1-3H3,(H,25,28)
InChIKeyLROMUGOTCKAJIE-UHFFFAOYSA-N
XLogP4.46
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.46
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

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
CID 18672554
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
CID 18672596
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 139912017
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
[4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 26364572
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-hydroxynaphthalene-2-carboxamide
CID 166219863
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
CID 18476102
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide (CID 18672595) is N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide is COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)cc1OCCN(C)C.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide?
The InChIKey is LROMUGOTCKAJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-26(2)13-14-32-23-16-20(11-12-22(23)31-3)25-24(28)18-9-7-17(8-10-18)19-5-4-6-21(15-19)27(29)30/h4-12,15-16H,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide?
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide has a molecular weight of 435.48 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide is sourced from PubChem (CID 18672595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).