N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide

C20H23N3O5 — CID 3776414

IUPACN-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C20H23N3O5/c1-4-5-6-19(24)22-16-10-9-15(12-18(16)28-3)21-20(25)14-8-7-13(2)17(11-14)23(26)27/h7-12H,4-6H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDBHVXFWECUTERC-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.29
Rot. Bonds8

About N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide

N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide (PubChem CID 3776414) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide
PubChem CID3776414
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C20H23N3O5/c1-4-5-6-19(24)22-16-10-9-15(12-18(16)28-3)21-20(25)14-8-7-13(2)17(11-14)23(26)27/h7-12H,4-6H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDBHVXFWECUTERC-UHFFFAOYSA-N
XLogP4.29
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide
CID 21215527
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 26575664
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
butyl 4-[(4-methyl-3-nitrobenzoyl)amino]benzoate
CID 3284136
N-[4-[3-(4-chloro-3-nitrophenyl)prop-2-enoylamino]-2-methoxyphenyl]pentanamide
CID 4995639
3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide
CID 32689206
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-nitrobenzamide
CID 155561273

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide (CID 3776414) is N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide is CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC.
What is the InChIKey of N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide?
The InChIKey is DBHVXFWECUTERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-4-5-6-19(24)22-16-10-9-15(12-18(16)28-3)21-20(25)14-8-7-13(2)17(11-14)23(26)27/h7-12H,4-6H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide?
N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide has a molecular weight of 385.42 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 3776414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).