3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide

C18H20N4O5 — CID 9278422

IUPAC3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)NCCNc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O5/c1-27-14-6-4-5-13(11-14)18(24)21-12-17(23)20-10-9-19-15-7-2-3-8-16(15)22(25)26/h2-8,11,19H,9-10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyFGGVSYGSMQFFDY-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.56
Rot. Bonds9

About 3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide

3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide (PubChem CID 9278422) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide
PubChem CID9278422
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)NCCNc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O5/c1-27-14-6-4-5-13(11-14)18(24)21-12-17(23)20-10-9-19-15-7-2-3-8-16(15)22(25)26/h2-8,11,19H,9-10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyFGGVSYGSMQFFDY-UHFFFAOYSA-N
XLogP1.56
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278183
3-(difluoromethoxy)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278108
3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide
CID 141267218
2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278952
3-(methoxymethyl)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278890
3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136
2,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278181
3,4-dimethyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278238
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 41275762
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
CID 112997486
3-methoxy-N-[2-(2-nitroanilino)ethyl]-4-prop-2-enoxybenzamide
CID 41275702

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide (CID 9278422) is 3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide is COc1cccc(C(=O)NCC(=O)NCCNc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is FGGVSYGSMQFFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-27-14-6-4-5-13(11-14)18(24)21-12-17(23)20-10-9-19-15-7-2-3-8-16(15)22(25)26/h2-8,11,19H,9-10,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide?
3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 372.38 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9278422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).