6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide

C15H19N3O5 — CID 89354647

IUPAC6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide
SMILESO=CNCCCCCC(=O)NCC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O5/c19-11-16-9-5-1-2-8-15(21)17-10-14(20)12-6-3-4-7-13(12)18(22)23/h3-4,6-7,11H,1-2,5,8-10H2,(H,16,19)(H,17,21)
InChIKeyMXEPYBKKRUILMN-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.20
Rot. Bonds11

About 6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide

6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide (PubChem CID 89354647) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide
PubChem CID89354647
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide
SMILESO=CNCCCCCC(=O)NCC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O5/c19-11-16-9-5-1-2-8-15(21)17-10-14(20)12-6-3-4-7-13(12)18(22)23/h3-4,6-7,11H,1-2,5,8-10H2,(H,16,19)(H,17,21)
InChIKeyMXEPYBKKRUILMN-UHFFFAOYSA-N
XLogP1.20
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

tert-butyl N-[2-(2-nitrophenyl)-2-oxoethyl]carbamate
CID 10731418
2-(methylamino)-1-(2-nitrophenyl)ethanone
CID 23083587
methyl 6-[(2-nitrobenzoyl)amino]hexanoate
CID 31839179
methyl 5-(2-nitrophenyl)-5-oxopentanoate
CID 67958165
1-(2-nitrophenyl)pentane-1,4-dione
CID 43608280
2-[(4-formamidobutanoylamino)methyl]benzoic acid
CID 87581086
methyl 6-[(2-methyl-3-nitrobenzoyl)amino]hexanoate
CID 31541051
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
2-methylsulfonyl-1-(2-nitrophenyl)ethanone
CID 14358411
4-(dimethylamino)-1-(2-nitrophenyl)butan-1-one
CID 119085797
N-(3-iodopropyl)-2-nitrobenzamide
CID 114504241
N-(3-chloropropyl)-2-nitrobenzamide
CID 3113440

Frequently Asked Questions

What is the IUPAC name of 6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide?
The IUPAC name of 6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide (CID 89354647) is 6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide.
What is the SMILES notation for 6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide?
The canonical SMILES for 6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide is O=CNCCCCCC(=O)NCC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide?
The InChIKey is MXEPYBKKRUILMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c19-11-16-9-5-1-2-8-15(21)17-10-14(20)12-6-3-4-7-13(12)18(22)23/h3-4,6-7,11H,1-2,5,8-10H2,(H,16,19)(H,17,21).
What are the key properties of 6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide?
6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide has a molecular weight of 321.33 g/mol, XLogP of 1.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formamido-N-[2-(2-nitrophenyl)-2-oxoethyl]hexanamide is sourced from PubChem (CID 89354647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).