N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide

C17H26N4O — CID 111289549

IUPACN,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
SMILESC=CCN/C(=N\CC(=O)N(C)C)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C17H26N4O/c1-6-11-18-17(19-12-16(22)20(3)4)21(5)13-15-9-7-14(2)8-10-15/h6-10H,1,11-13H2,2-5H3,(H,18,19)
InChIKeyNNRZVRKCRMGAEQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.65
Rot. Bonds6

About N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide (PubChem CID 111289549) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
PubChem CID111289549
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
SMILESC=CCN/C(=N\CC(=O)N(C)C)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C17H26N4O/c1-6-11-18-17(19-12-16(22)20(3)4)21(5)13-15-9-7-14(2)8-10-15/h6-10H,1,11-13H2,2-5H3,(H,18,19)
InChIKeyNNRZVRKCRMGAEQ-UHFFFAOYSA-N
XLogP1.65
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.65
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]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,N-dimethyl-2-[[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111414382
2-[[ethylamino-[(4-ethylphenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111283428
2-[[[butyl(methyl)amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111158477
N,N-dimethyl-2-[[[methyl-[2-(2-methylphenoxy)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 111419471
N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111622059
2-[[[2-(4-chlorophenoxy)ethyl-methylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111308410
2-[[[hept-6-enyl(methyl)amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043724
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-prop-2-enylguanidine
CID 111293025
2-[[ethylamino-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111414530
2-[[[(4-ethoxyphenyl)methyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111541724
2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111289754
2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111288888

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide (CID 111289549) is N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide is C=CCN/C(=N\CC(=O)N(C)C)N(C)Cc1ccc(C)cc1.
What is the InChIKey of N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide?
The InChIKey is NNRZVRKCRMGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-6-11-18-17(19-12-16(22)20(3)4)21(5)13-15-9-7-14(2)8-10-15/h6-10H,1,11-13H2,2-5H3,(H,18,19).
What are the key properties of N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide has a molecular weight of 302.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111289549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).