N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide

C20H25N5O — CID 142468317

IUPACN'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide
SMILESCCc1ccc(Nc2ccccc2/C(N)=N/N(N)CC(=O)C2CC2)cc1
InChIInChI=1S/C20H25N5O/c1-2-14-7-11-16(12-8-14)23-18-6-4-3-5-17(18)20(21)24-25(22)13-19(26)15-9-10-15/h3-8,11-12,15,23H,2,9-10,13,22H2,1H3,(H2,21,24)
InChIKeyCHFCPSSFWRYPHV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.77
Rot. Bonds8

About N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide

N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide (PubChem CID 142468317) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide
PubChem CID142468317
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide
SMILESCCc1ccc(Nc2ccccc2/C(N)=N/N(N)CC(=O)C2CC2)cc1
InChIInChI=1S/C20H25N5O/c1-2-14-7-11-16(12-8-14)23-18-6-4-3-5-17(18)20(21)24-25(22)13-19(26)15-9-10-15/h3-8,11-12,15,23H,2,9-10,13,22H2,1H3,(H2,21,24)
InChIKeyCHFCPSSFWRYPHV-UHFFFAOYSA-N
XLogP2.77
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylanilino)benzamide
CID 177472959
2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide;ethane;propane
CID 142468083
2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide
CID 142468084
2-amino-3-(4-ethylanilino)benzamide
CID 113332480
ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
CID 112989771
methyl 2-amino-3-(4-ethylanilino)benzoate
CID 115544514
methyl 2-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 22544319
tert-butyl 3-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]pyrrolidine-1-carboxylate
CID 142468292
N'-[amino(2-hydroxyethyl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide;thietane
CID 142468067
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
N'-[amino(2-hydroxyethyl)amino]-2-(3-heptylanilino)benzenecarboximidamide
CID 142468274
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128007

Frequently Asked Questions

What is the IUPAC name of N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide?
The IUPAC name of N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide (CID 142468317) is N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide.
What is the SMILES notation for N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide?
The canonical SMILES for N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide is CCc1ccc(Nc2ccccc2/C(N)=N/N(N)CC(=O)C2CC2)cc1.
What is the InChIKey of N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide?
The InChIKey is CHFCPSSFWRYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-14-7-11-16(12-8-14)23-18-6-4-3-5-17(18)20(21)24-25(22)13-19(26)15-9-10-15/h3-8,11-12,15,23H,2,9-10,13,22H2,1H3,(H2,21,24).
What are the key properties of N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide?
N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide has a molecular weight of 351.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide is sourced from PubChem (CID 142468317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).