2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide

C23H23N3O3 — CID 4779649

IUPAC2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23N3O3/c1-18-9-8-14-21(26(28)29)23(18)24-22(27)17-25(15-19-10-4-2-5-11-19)16-20-12-6-3-7-13-20/h2-14H,15-17H2,1H3,(H,24,27)
InChIKeyAQXOEVWTCCCLMM-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.54
Rot. Bonds8

About 2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide

2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide (PubChem CID 4779649) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide
PubChem CID4779649
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23N3O3/c1-18-9-8-14-21(26(28)29)23(18)24-22(27)17-25(15-19-10-4-2-5-11-19)16-20-12-6-3-7-13-20/h2-14H,15-17H2,1H3,(H,24,27)
InChIKeyAQXOEVWTCCCLMM-UHFFFAOYSA-N
XLogP4.54
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3,4-dihydro-1(2H)-quinolinyl]-N-(2-nitrophenyl)acetamide
CID 3512309
2-[(4-fluorobenzyl)amino]-N-(2-nitrophenyl)acetamide
CID 4187904
2-[(1-naphthylmethyl)amino]-N-(2-nitrophenyl)acetamide
CID 5115810
3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one
CID 763761
1-[4-(2-Nitrophenyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 122183731
2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide
CID 2243596
N-(4-methyl-2-nitrophenyl)-4-phenylbutanamide
CID 2907454
2-[benzyl(methyl)amino]-N-(4-fluoro-2-nitrophenyl)acetamide
CID 4556994
N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
CID 4966557
4-Cyclohexylamino-3-nitro-1-phenyl-1H-quinolin-2-one
CID 2870345
1-Methyl-3-nitro-4-phenethylamino-1H-quinolin-2-one
CID 2877555
N-(4-butylphenyl)-N'-{2-[4-(4-nitrobenzyl)piperazin-1-yl]ethyl}ethanediamide
CID 4692200

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide (CID 4779649) is 2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide is Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide?
The InChIKey is AQXOEVWTCCCLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-18-9-8-14-21(26(28)29)23(18)24-22(27)17-25(15-19-10-4-2-5-11-19)16-20-12-6-3-7-13-20/h2-14H,15-17H2,1H3,(H,24,27).
What are the key properties of 2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide?
2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-(2-methyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 4779649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).