N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide

C26H32N2O7 — CID 86749976

IUPACN-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide
SMILESCOc1ccc2c(c1NC(=O)C(C)(C)CCCCCCOc1ccc([N+](=O)[O-])cc1)OCCC2=O
InChIInChI=1S/C26H32N2O7/c1-26(2,15-6-4-5-7-16-34-19-10-8-18(9-11-19)28(31)32)25(30)27-23-22(33-3)13-12-20-21(29)14-17-35-24(20)23/h8-13H,4-7,14-17H2,1-3H3,(H,27,30)
InChIKeyJGPJUDYLUFIOSN-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.56
Rot. Bonds12

About N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide

N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide (PubChem CID 86749976) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide.

Molecular Properties

Compound NameN-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide
PubChem CID86749976
Molecular FormulaC26H32N2O7
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC NameN-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide
SMILESCOc1ccc2c(c1NC(=O)C(C)(C)CCCCCCOc1ccc([N+](=O)[O-])cc1)OCCC2=O
InChIInChI=1S/C26H32N2O7/c1-26(2,15-6-4-5-7-16-34-19-10-8-18(9-11-19)28(31)32)25(30)27-23-22(33-3)13-12-20-21(29)14-17-35-24(20)23/h8-13H,4-7,14-17H2,1-3H3,(H,27,30)
InChIKeyJGPJUDYLUFIOSN-UHFFFAOYSA-N
XLogP5.56
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4-chlorophenoxy)-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyloctanamide
CID 10393792
2,2-dimethyl-6-(4-nitrophenoxy)hexanoic acid
CID 106714337
methyl 10-(4-nitrophenoxy)decanoate
CID 100972359
2,2-dimethyl-6-(4-nitrophenoxy)hexanenitrile
CID 106710452
1-nitro-4-octadecoxybenzene
CID 4258205
7-(4-chlorophenoxy)-2,2-dimethyl-N-(7-methyl-4-oxochromen-8-yl)heptanamide
CID 10433437
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 19170787
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
3-(4-nitrophenoxy)propane-1-sulfonic acid
CID 3017110
trimethoxy-[3-(4-nitrophenoxy)propyl]silane
CID 70700788

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide?
The IUPAC name of N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide (CID 86749976) is N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide.
What is the SMILES notation for N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide?
The canonical SMILES for N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide is COc1ccc2c(c1NC(=O)C(C)(C)CCCCCCOc1ccc([N+](=O)[O-])cc1)OCCC2=O.
What is the InChIKey of N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide?
The InChIKey is JGPJUDYLUFIOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O7/c1-26(2,15-6-4-5-7-16-34-19-10-8-18(9-11-19)28(31)32)25(30)27-23-22(33-3)13-12-20-21(29)14-17-35-24(20)23/h8-13H,4-7,14-17H2,1-3H3,(H,27,30).
What are the key properties of N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide?
N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide has a molecular weight of 484.55 g/mol, XLogP of 5.56, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-(4-nitrophenoxy)octanamide is sourced from PubChem (CID 86749976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).