2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide

C20H30N4O3 — CID 110046189

IUPAC2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN/C(=N\Cc1ccccc1)N1CCOC(C2CCCO2)C1
InChIInChI=1S/C20H30N4O3/c1-23(2)19(25)14-22-20(21-13-16-7-4-3-5-8-16)24-10-12-27-18(15-24)17-9-6-11-26-17/h3-5,7-8,17-18H,6,9-15H2,1-2H3,(H,21,22)
InChIKeyVXIDSQFUEWAFGY-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.10
Rot. Bonds5

About 2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide

2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide (PubChem CID 110046189) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide
PubChem CID110046189
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN/C(=N\Cc1ccccc1)N1CCOC(C2CCCO2)C1
InChIInChI=1S/C20H30N4O3/c1-23(2)19(25)14-22-20(21-13-16-7-4-3-5-8-16)24-10-12-27-18(15-24)17-9-6-11-26-17/h3-5,7-8,17-18H,6,9-15H2,1-2H3,(H,21,22)
InChIKeyVXIDSQFUEWAFGY-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.10
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'}

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Related Compounds

2-[[C-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-[(4-bromophenyl)methyl]carbonimidoyl]amino]-N,N-dimethylacetamide
CID 110048427
2-[[N-benzyl-C-(3,4-dimethylpiperidin-1-yl)carbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049419
N,N-dimethyl-2-[[[2-(oxolan-2-yl)morpholin-4-yl]-(prop-2-enylamino)methylidene]amino]acetamide
CID 110046227
2-[[[2-(4-methoxyphenyl)ethylamino]-[2-(oxolan-2-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110046211
2-[[N-benzyl-C-(3,4-dihydro-1H-isoquinolin-2-yl)carbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110947341
2-[[(4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047275
N,N-dimethyl-2-[[N-[(4-nitrophenyl)methyl]-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 110020951
2-[[N-[(4-methoxyphenyl)methyl]-C-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide
CID 110044229
2-[[(2-ethylhexylamino)-[2-(oxolan-2-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046196
(2R)-2-amino-1-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-3-phenylpropan-1-one
CID 125152052
2-[[N-benzyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]-N,N-dimethylacetamide
CID 110043101
2-[[N-[(4-bromophenyl)methyl]-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111977358

Frequently Asked Questions

What is the IUPAC name of 2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide (CID 110046189) is 2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CN/C(=N\Cc1ccccc1)N1CCOC(C2CCCO2)C1.
What is the InChIKey of 2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide?
The InChIKey is VXIDSQFUEWAFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-23(2)19(25)14-22-20(21-13-16-7-4-3-5-8-16)24-10-12-27-18(15-24)17-9-6-11-26-17/h3-5,7-8,17-18H,6,9-15H2,1-2H3,(H,21,22).
What are the key properties of 2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide?
2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide has a molecular weight of 374.49 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-benzyl-C-[2-(oxolan-2-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110046189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).