N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide

C19H30N4O — CID 111622652

IUPACN,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCC(C)c1ccc(C)cc1
InChIInChI=1S/C19H30N4O/c1-14(2)11-20-19(22-13-18(24)23(5)6)21-12-16(4)17-9-7-15(3)8-10-17/h7-10,16H,1,11-13H2,2-6H3,(H2,20,21,22)
InChIKeyGIYKRGNGLYSHIT-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.30
Rot. Bonds7

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

N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide (PubChem CID 111622652) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
PubChem CID111622652
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCC(C)c1ccc(C)cc1
InChIInChI=1S/C19H30N4O/c1-14(2)11-20-19(22-13-18(24)23(5)6)21-12-16(4)17-9-7-15(3)8-10-17/h7-10,16H,1,11-13H2,2-6H3,(H2,20,21,22)
InChIKeyGIYKRGNGLYSHIT-UHFFFAOYSA-N
XLogP2.30
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.30
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111622059
2-[[(2-ethylbutylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111778777
N,N-dimethyl-2-[[[2-(2-methylphenoxy)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 111503437
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
CID 111326314
2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111659677
2-[[[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111291801
N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111366424
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111134136
2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365696
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(4-methylphenyl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111621583
N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 111364129
2-[[[1-(2-bromophenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111322167

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide (CID 111622652) is N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)NCC(C)c1ccc(C)cc1.
What is the InChIKey of N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide?
The InChIKey is GIYKRGNGLYSHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14(2)11-20-19(22-13-18(24)23(5)6)21-12-16(4)17-9-7-15(3)8-10-17/h7-10,16H,1,11-13H2,2-6H3,(H2,20,21,22).
What are the key properties of N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide has a molecular weight of 330.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111622652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).