N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide

C24H23N3O5 — CID 4951315

IUPACN-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H23N3O5/c1-17(32-20-14-12-19(13-15-20)27(30)31)23(28)25-22-11-7-6-10-21(22)24(29)26(2)16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,25,28)
InChIKeyCVPPRZUAEVVPSN-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.27
Rot. Bonds8

About N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide

N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide (PubChem CID 4951315) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide
PubChem CID4951315
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H23N3O5/c1-17(32-20-14-12-19(13-15-20)27(30)31)23(28)25-22-11-7-6-10-21(22)24(29)26(2)16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,25,28)
InChIKeyCVPPRZUAEVVPSN-UHFFFAOYSA-N
XLogP4.27
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
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

2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 4951327
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
N-benzyl-N-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 17312053
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951317
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 17087091
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 51255380
2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
CID 17233582
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide?
The IUPAC name of N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide (CID 4951315) is N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide?
The InChIKey is CVPPRZUAEVVPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-17(32-20-14-12-19(13-15-20)27(30)31)23(28)25-22-11-7-6-10-21(22)24(29)26(2)16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,25,28).
What are the key properties of N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide?
N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide has a molecular weight of 433.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide is sourced from PubChem (CID 4951315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).