2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide

C15H29N5O2 — CID 111365971

IUPAC2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)NC(C)(C)C)NCC(=O)N(C)C
InChIInChI=1S/C15H29N5O2/c1-11(2)8-16-14(18-10-13(22)20(6)7)17-9-12(21)19-15(3,4)5/h1,8-10H2,2-7H3,(H,19,21)(H2,16,17,18)
InChIKeyDHUMZHSFQXYQPO-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.10
Rot. Bonds6

About 2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide

2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide (PubChem CID 111365971) has the molecular formula C15H29N5O2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide
PubChem CID111365971
Molecular FormulaC15H29N5O2
Molecular Weight311.43 g/mol
Exact Mass311.23
IUPAC Name2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)NC(C)(C)C)NCC(=O)N(C)C
InChIInChI=1S/C15H29N5O2/c1-11(2)8-16-14(18-10-13(22)20(6)7)17-9-12(21)19-15(3,4)5/h1,8-10H2,2-7H3,(H,19,21)(H2,16,17,18)
InChIKeyDHUMZHSFQXYQPO-UHFFFAOYSA-N
XLogP0.10
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111907383
tert-butyl N-[2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]carbamate
CID 111365799
2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(1-phenylethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545762
N-tert-butyl-2-[[[2-(furan-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111356441
2-[[(2-ethylbutylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111778777
2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907628
2-[[(3-methoxypropylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975874
N,N-dimethyl-2-[[N-(2-methylprop-2-enyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111363748
N,N-dimethyl-2-[[N'-[(2-methylphenyl)methyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111359571
2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047202
N-tert-butyl-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111842493
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111134136

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide (CID 111365971) is 2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide is C=C(C)CN/C(=N\CC(=O)NC(C)(C)C)NCC(=O)N(C)C.
What is the InChIKey of 2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide?
The InChIKey is DHUMZHSFQXYQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O2/c1-11(2)8-16-14(18-10-13(22)20(6)7)17-9-12(21)19-15(3,4)5/h1,8-10H2,2-7H3,(H,19,21)(H2,16,17,18).
What are the key properties of 2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide?
2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide has a molecular weight of 311.43 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111365971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).