2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide

C18H30N4O — CID 111159958

IUPAC2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCCCCN(C)/C(=N/CC(=O)NCCc1ccccc1)NCC
InChIInChI=1S/C18H30N4O/c1-4-6-14-22(3)18(19-5-2)21-15-17(23)20-13-12-16-10-8-7-9-11-16/h7-11H,4-6,12-15H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyNVKPDAPDHLVFGR-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.04
Rot. Bonds9

About 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide

2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide (PubChem CID 111159958) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
PubChem CID111159958
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCCCCN(C)/C(=N/CC(=O)NCCc1ccccc1)NCC
InChIInChI=1S/C18H30N4O/c1-4-6-14-22(3)18(19-5-2)21-15-17(23)20-13-12-16-10-8-7-9-11-16/h7-11H,4-6,12-15H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyNVKPDAPDHLVFGR-UHFFFAOYSA-N
XLogP2.04
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111158586
N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide
CID 111158887
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
2-[[[[4-(difluoromethoxy)phenyl]methyl-methylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111288062
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111001469
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835
2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090964
1-butyl-3-ethyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
CID 111158338
N-benzyl-2-[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]acetamide
CID 111273935
3-[[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111158189
2-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111239439
1-butyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]-1-methylguanidine;hydroiodide
CID 111158316

Frequently Asked Questions

What is the IUPAC name of 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide (CID 111159958) is 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide is CCCCN(C)/C(=N/CC(=O)NCCc1ccccc1)NCC.
What is the InChIKey of 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is NVKPDAPDHLVFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-6-14-22(3)18(19-5-2)21-15-17(23)20-13-12-16-10-8-7-9-11-16/h7-11H,4-6,12-15H2,1-3H3,(H,19,21)(H,20,23).
What are the key properties of 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 111159958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).