N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide

C20H23N3O5 — CID 19752907

IUPACN'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide
SMILESCOc1cccc(C(=O)N(N(C)C(=O)c2ccccc2)C(C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O5/c1-20(2,3)22(21(4)18(24)14-10-7-6-8-11-14)19(25)15-12-9-13-16(28-5)17(15)23(26)27/h6-13H,1-5H3
InChIKeyDDMIXYRREGQOOR-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.53
Rot. Bonds4

About N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide

N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide (PubChem CID 19752907) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide
PubChem CID19752907
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide
SMILESCOc1cccc(C(=O)N(N(C)C(=O)c2ccccc2)C(C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O5/c1-20(2,3)22(21(4)18(24)14-10-7-6-8-11-14)19(25)15-12-9-13-16(28-5)17(15)23(26)27/h6-13H,1-5H3
InChIKeyDDMIXYRREGQOOR-UHFFFAOYSA-N
XLogP3.53
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
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'-tert-butyl-3-methoxy-N-(3-methylbenzoyl)-2-nitrobenzohydrazide
CID 139683583
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-nitrobenzohydrazide
CID 69296103
3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,3-dimethyl-2-nitrobenzamide
CID 32629259
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-2-nitrobenzamide
CID 55369445
2-piperidin-4-ylpropan-2-yl 3-methoxy-2-nitrobenzoate
CID 155605343
ethyl 2-[(3-methoxy-2-nitrobenzoyl)amino]-2-methylpropanoate
CID 134085677
3-methoxy-N-(2-methyl-2-pyridin-4-ylpropyl)-2-nitrobenzamide
CID 99837476
3-(2-methoxyethoxy)-2-nitrobenzoic acid
CID 69405433
2-(3,5-dimethoxy-4-nitrophenoxy)benzoic acid
CID 175372250
(2-methoxyphenyl) 3-methyl-2-nitrobenzoate
CID 8778392

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide (CID 19752907) is N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide is COc1cccc(C(=O)N(N(C)C(=O)c2ccccc2)C(C)(C)C)c1[N+](=O)[O-].
What is the InChIKey of N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide?
The InChIKey is DDMIXYRREGQOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-20(2,3)22(21(4)18(24)14-10-7-6-8-11-14)19(25)15-12-9-13-16(28-5)17(15)23(26)27/h6-13H,1-5H3.
What are the key properties of N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide?
N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide has a molecular weight of 385.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N-tert-butyl-3-methoxy-N'-methyl-2-nitrobenzohydrazide is sourced from PubChem (CID 19752907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).