N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide

C19H22N2O3 — CID 60560008

IUPACN-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide
SMILESCc1cc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O3/c1-13-12-14(6-11-17(13)21(23)24)18(22)20(5)16-9-7-15(8-10-16)19(2,3)4/h6-12H,1-5H3
InChIKeyGVKAZJNMMOMCOZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.48
Rot. Bonds3

About N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide

N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide (PubChem CID 60560008) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide
PubChem CID60560008
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide
SMILESCc1cc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O3/c1-13-12-14(6-11-17(13)21(23)24)18(22)20(5)16-9-7-15(8-10-16)19(2,3)4/h6-12H,1-5H3
InChIKeyGVKAZJNMMOMCOZ-UHFFFAOYSA-N
XLogP4.48
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide
CID 62682180
N-[2-(4-tert-butylanilino)-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 112768467
3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 62682016
3-methyl-4-nitro-N-phenylbenzohydrazide
CID 54532028
N-(4-tert-butylphenyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide
CID 60559724
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985
N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-nitrobenzamide
CID 134054215
3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide
CID 106934877
N-benzyl-N,3-dimethyl-4-nitrobenzamide
CID 786991
N-(2-hydroxy-2-phenylpropyl)-3-methyl-4-nitrobenzamide
CID 111334968
N-methyl-N-(2-methylphenyl)-3,4-dinitrobenzamide
CID 54159508
N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-nitrobenzamide
CID 8964575

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide (CID 60560008) is N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide is Cc1cc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide?
The InChIKey is GVKAZJNMMOMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-12-14(6-11-17(13)21(23)24)18(22)20(5)16-9-7-15(8-10-16)19(2,3)4/h6-12H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide?
N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide has a molecular weight of 326.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide is sourced from PubChem (CID 60560008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).