N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide

C23H23N3O5 — CID 16962073

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCOc1ccc2cc(CNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)ccc2c1
InChIInChI=1S/C23H23N3O5/c1-30-20-6-4-17-12-16(2-3-18(17)13-20)15-24-23(27)19-5-7-21(22(14-19)26(28)29)25-8-10-31-11-9-25/h2-7,12-14H,8-11,15H2,1H3,(H,24,27)
InChIKeyFIJPLYWCHRSKMP-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.52
Rot. Bonds6

About N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide

N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 16962073) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID16962073
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCOc1ccc2cc(CNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)ccc2c1
InChIInChI=1S/C23H23N3O5/c1-30-20-6-4-17-12-16(2-3-18(17)13-20)15-24-23(27)19-5-7-21(22(14-19)26(28)29)25-8-10-31-11-9-25/h2-7,12-14H,8-11,15H2,1H3,(H,24,27)
InChIKeyFIJPLYWCHRSKMP-UHFFFAOYSA-N
XLogP3.52
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 17493869
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 2930417
4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 2996088
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
4-[[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]methyl]benzoic acid
CID 28688208
N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 110839035
4-(4-acetylpiperazin-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-nitrobenzamide
CID 42008152
N-[2-(diethylamino)-3-methylbutyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 42957538
4-(4-acetylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]-3-nitrobenzamide
CID 25337561

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide (CID 16962073) is N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide is COc1ccc2cc(CNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is FIJPLYWCHRSKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-30-20-6-4-17-12-16(2-3-18(17)13-20)15-24-23(27)19-5-7-21(22(14-19)26(28)29)25-8-10-31-11-9-25/h2-7,12-14H,8-11,15H2,1H3,(H,24,27).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 421.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 16962073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).