N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide

C23H32N4O — CID 110948290

IUPACN-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1cccc(C(=O)NC(C)CC)c1)NC(C)c1ccccc1
InChIInChI=1S/C23H32N4O/c1-5-17(3)26-22(28)21-14-10-11-19(15-21)16-25-23(24-6-2)27-18(4)20-12-8-7-9-13-20/h7-15,17-18H,5-6,16H2,1-4H3,(H,26,28)(H2,24,25,27)
InChIKeyDYYILGBQJYBZPU-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.03
Rot. Bonds8

About N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide

N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide (PubChem CID 110948290) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide
PubChem CID110948290
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1cccc(C(=O)NC(C)CC)c1)NC(C)c1ccccc1
InChIInChI=1S/C23H32N4O/c1-5-17(3)26-22(28)21-14-10-11-19(15-21)16-25-23(24-6-2)27-18(4)20-12-8-7-9-13-20/h7-15,17-18H,5-6,16H2,1-4H3,(H,26,28)(H2,24,25,27)
InChIKeyDYYILGBQJYBZPU-UHFFFAOYSA-N
XLogP4.03
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-[[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111000898
3-[[[(butan-2-ylamino)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 110943750
3-[[[(butan-2-ylamino)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 110943749
N-butan-2-yl-3-[[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]methyl]benzamide
CID 110948288
3-[2-[[N'-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111631728
N-butan-2-yl-3-[[[[[2-(dimethylamino)-2-oxoethyl]amino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111364927
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
N-butan-2-yl-3-[[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]methyl]benzamide
CID 111607365
N-butan-2-yl-3-[[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]methyl]benzamide
CID 111362035
N-butan-2-yl-3-[[[ethylamino-(2-thiophen-3-ylpropylamino)methylidene]amino]methyl]benzamide
CID 111703289
N-ethyl-3-[[[ethylamino-(propan-2-ylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111124030

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide (CID 110948290) is N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide is CCN/C(=N\Cc1cccc(C(=O)NC(C)CC)c1)NC(C)c1ccccc1.
What is the InChIKey of N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide?
The InChIKey is DYYILGBQJYBZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-5-17(3)26-22(28)21-14-10-11-19(15-21)16-25-23(24-6-2)27-18(4)20-12-8-7-9-13-20/h7-15,17-18H,5-6,16H2,1-4H3,(H,26,28)(H2,24,25,27).
What are the key properties of N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide?
N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide has a molecular weight of 380.54 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 110948290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).