N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide

C18H31N5O3 — CID 111301675

IUPACN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H31N5O3/c1-14(2)12-19-18(20-13-16(24)21(3)4)23-9-7-22(8-10-23)17(25)15-6-5-11-26-15/h15H,1,5-13H2,2-4H3,(H,19,20)
InChIKeyZMYMPOQTTOGXPZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP-0.08
Rot. Bonds5

About N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide

N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide (PubChem CID 111301675) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide
PubChem CID111301675
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC NameN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H31N5O3/c1-14(2)12-19-18(20-13-16(24)21(3)4)23-9-7-22(8-10-23)17(25)15-6-5-11-26-15/h15H,1,5-13H2,2-4H3,(H,19,20)
InChIKeyZMYMPOQTTOGXPZ-UHFFFAOYSA-N
XLogP-0.08
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[[2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110048399
N,N-dimethyl-2-[[[4-(oxolane-2-carbonyl)piperazin-1-yl]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111302268
2-[[1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119144378
2-[[(3,5-dimethylpiperidin-1-yl)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111153157
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 111367084
ethyl 4-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111539222
N,N-dimethyl-2-[[N-[(4-nitrophenyl)methyl]-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 110020951
2-[[6-azaspiro[3.4]octan-6-yl-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046932
N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
CID 110048002
N-ethyl-N'-(2-ethylbutyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111984313
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961766
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]acetamide
CID 111734965

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide (CID 111301675) is N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide?
The InChIKey is ZMYMPOQTTOGXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-14(2)12-19-18(20-13-16(24)21(3)4)23-9-7-22(8-10-23)17(25)15-6-5-11-26-15/h15H,1,5-13H2,2-4H3,(H,19,20).
What are the key properties of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide has a molecular weight of 365.48 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide is sourced from PubChem (CID 111301675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).