2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide

C19H23N3O5 — CID 9308313

IUPAC2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide
SMILESCCOc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1
InChIInChI=1S/C19H23N3O5/c1-4-26-15-6-8-16(9-7-15)27-12-11-20-19(23)17-13-14(22(24)25)5-10-18(17)21(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,20,23)
InChIKeyOCIHEYDDLVHMOE-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.87
Rot. Bonds9

About 2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide

2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide (PubChem CID 9308313) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide
PubChem CID9308313
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide
SMILESCCOc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1
InChIInChI=1S/C19H23N3O5/c1-4-26-15-6-8-16(9-7-15)27-12-11-20-19(23)17-13-14(22(24)25)5-10-18(17)21(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,20,23)
InChIKeyOCIHEYDDLVHMOE-UHFFFAOYSA-N
XLogP2.87
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide
CID 9022493
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
2-(dimethylamino)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-nitrobenzamide
CID 55878556
2-(dimethylamino)-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 31746360
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164
ethyl 3-[2-(4-ethoxyphenoxy)ethylcarbamoyl]-5-nitrobenzoate
CID 9022612
2-(dimethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-nitrobenzamide
CID 34487244
2-(dimethylamino)-5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9277234
N-[2-[4-(carbamoylamino)phenoxy]ethyl]-2-chloro-5-nitrobenzamide
CID 139950443
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894
2-(dimethylamino)-5-nitro-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074533
2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide
CID 3938181

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide (CID 9308313) is 2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide is CCOc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide?
The InChIKey is OCIHEYDDLVHMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-4-26-15-6-8-16(9-7-15)27-12-11-20-19(23)17-13-14(22(24)25)5-10-18(17)21(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,20,23).
What are the key properties of 2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide?
2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide has a molecular weight of 373.41 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide is sourced from PubChem (CID 9308313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).