N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide

C21H25N3O8 — CID 34871494

IUPACN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])c1
InChIInChI=1S/C21H25N3O8/c1-4-22-20(25)13-32-15-7-5-6-14(10-15)23-21(26)16-11-18(30-3)19(31-9-8-29-2)12-17(16)24(27)28/h5-7,10-12H,4,8-9,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyGDBKDYHASZLIPV-UHFFFAOYSA-N
MW447.44 g/mol
LogP2.40
Rot. Bonds12

About N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide (PubChem CID 34871494) has the molecular formula C21H25N3O8 and a molecular weight of 447.44 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
PubChem CID34871494
Molecular FormulaC21H25N3O8
Molecular Weight447.44 g/mol
Exact Mass447.16
IUPAC NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])c1
InChIInChI=1S/C21H25N3O8/c1-4-22-20(25)13-32-15-7-5-6-14(10-15)23-21(26)16-11-18(30-3)19(31-9-8-29-2)12-17(16)24(27)28/h5-7,10-12H,4,8-9,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyGDBKDYHASZLIPV-UHFFFAOYSA-N
XLogP2.40
TPSA138.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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

5-methoxy-4-(2-methoxyethoxy)-N-[4-(2-methoxyphenoxy)phenyl]-2-nitrobenzamide
CID 24563404
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 39045106
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 39040499
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide
CID 34874419
5-ethoxy-4-methoxy-N-(3-methylsulfonylphenyl)-2-nitrobenzamide
CID 26975903
5-methoxy-4-(2-methoxyethoxy)-N-(6-methyl-2-pyridinyl)-2-nitrobenzamide
CID 17429492
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethanone
CID 10539898
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
[2-(3-methoxyanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 2488752
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide
CID 32938409
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55566481
4-ethoxy-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-5-methoxy-2-nitrobenzamide
CID 55746037

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide?
The IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide (CID 34871494) is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide?
The canonical SMILES for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide is CCNC(=O)COc1cccc(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])c1.
What is the InChIKey of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide?
The InChIKey is GDBKDYHASZLIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O8/c1-4-22-20(25)13-32-15-7-5-6-14(10-15)23-21(26)16-11-18(30-3)19(31-9-8-29-2)12-17(16)24(27)28/h5-7,10-12H,4,8-9,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide?
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide has a molecular weight of 447.44 g/mol, XLogP of 2.40, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide is sourced from PubChem (CID 34871494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).