N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide

C19H32N4O — CID 111158887

IUPACN-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide
SMILESCCCCN(C)/C(=N/CC(=O)N(CC)Cc1ccccc1)NCC
InChIInChI=1S/C19H32N4O/c1-5-8-14-22(4)19(20-6-2)21-15-18(24)23(7-3)16-17-12-10-9-11-13-17/h9-13H,5-8,14-16H2,1-4H3,(H,20,21)
InChIKeyHRQRHSRYZLINDY-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.73
Rot. Bonds9

About N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide

N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide (PubChem CID 111158887) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide
PubChem CID111158887
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide
SMILESCCCCN(C)/C(=N/CC(=O)N(CC)Cc1ccccc1)NCC
InChIInChI=1S/C19H32N4O/c1-5-8-14-22(4)19(20-6-2)21-15-18(24)23(7-3)16-17-12-10-9-11-13-17/h9-13H,5-8,14-16H2,1-4H3,(H,20,21)
InChIKeyHRQRHSRYZLINDY-UHFFFAOYSA-N
XLogP2.73
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
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-benzyl-2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111009368
N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111158586
2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111159958
2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082009
2-[[N'-[3-[benzyl(methyl)amino]propyl]-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 111010300
1-butyl-3-ethyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
CID 111158338
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
4-[[[[benzyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]-N,N-diethylbenzamide
CID 110950330
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
2-[(N'-benzyl-N-butyl-N-methylcarbamimidoyl)amino]-N,N-dimethylacetamide
CID 111159495
3-[[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111158189
1-butyl-3-ethyl-1-methyl-2-(2-phenoxyethyl)guanidine
CID 111159005

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide (CID 111158887) is N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide is CCCCN(C)/C(=N/CC(=O)N(CC)Cc1ccccc1)NCC.
What is the InChIKey of N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide?
The InChIKey is HRQRHSRYZLINDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-5-8-14-22(4)19(20-6-2)21-15-18(24)23(7-3)16-17-12-10-9-11-13-17/h9-13H,5-8,14-16H2,1-4H3,(H,20,21).
What are the key properties of N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide?
N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide has a molecular weight of 332.49 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide is sourced from PubChem (CID 111158887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).