4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide

C19H20N4O5 — CID 9160811

IUPAC4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H20N4O5/c1-2-28-15-8-3-12(4-9-15)18(24)21-22-19(25)13-5-10-16(20-14-6-7-14)17(11-13)23(26)27/h3-5,8-11,14,20H,2,6-7H2,1H3,(H,21,24)(H,22,25)
InChIKeyUTVOJOQSSLZZTM-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.64
Rot. Bonds7

About 4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide

4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide (PubChem CID 9160811) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide
PubChem CID9160811
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H20N4O5/c1-2-28-15-8-3-12(4-9-15)18(24)21-22-19(25)13-5-10-16(20-14-6-7-14)17(11-13)23(26)27/h3-5,8-11,14,20H,2,6-7H2,1H3,(H,21,24)(H,22,25)
InChIKeyUTVOJOQSSLZZTM-UHFFFAOYSA-N
XLogP2.64
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
CID 26187335
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
N-(4-butoxy-2-methylphenyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 52719706
ethyl 4-(cyclopentylamino)-3-nitrobenzoate
CID 86240601
N-[4-(4-chlorophenoxy)butyl]-4-(cyclopropylamino)-3-nitrobenzamide
CID 24533644
4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 9158207
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine
CID 60780977
4-[(4-ethylcyclohexyl)amino]-3-nitrobenzoic acid
CID 63537170
4-(cyclopropylamino)-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 7923542
4-(cyclopropylamino)-N'-[2-(2,4-dimethylanilino)acetyl]-3-nitrobenzohydrazide
CID 9432237

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide?
The IUPAC name of 4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide (CID 9160811) is 4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for 4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide?
The canonical SMILES for 4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide?
The InChIKey is UTVOJOQSSLZZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-2-28-15-8-3-12(4-9-15)18(24)21-22-19(25)13-5-10-16(20-14-6-7-14)17(11-13)23(26)27/h3-5,8-11,14,20H,2,6-7H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide?
4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide has a molecular weight of 384.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 9160811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).