N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide

C15H29N5O2 — CID 111382600

IUPACN-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(=O)N1CCCC1
InChIInChI=1S/C15H29N5O2/c1-5-16-14(17-10-12(21)19-15(2,3)4)18-11-13(22)20-8-6-7-9-20/h5-11H2,1-4H3,(H,19,21)(H2,16,17,18)
InChIKeyPVPLSRNFVSIHQE-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.08
Rot. Bonds5

About N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide

N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide (PubChem CID 111382600) has the molecular formula C15H29N5O2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
PubChem CID111382600
Molecular FormulaC15H29N5O2
Molecular Weight311.43 g/mol
Exact Mass311.23
IUPAC NameN-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(=O)N1CCCC1
InChIInChI=1S/C15H29N5O2/c1-5-16-14(17-10-12(21)19-15(2,3)4)18-11-13(22)20-8-6-7-9-20/h5-11H2,1-4H3,(H,19,21)(H2,16,17,18)
InChIKeyPVPLSRNFVSIHQE-UHFFFAOYSA-N
XLogP0.08
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.08
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'}

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Related Compounds

N-Hexyl-N'-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)urea
CID 136106118
N-methyl-2-[[N'-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109801421
N-methyl-2-[[N'-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 109801422
N-tert-butyl-2-[[N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111382896
N-tert-butyl-2-[[N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamimidoyl]amino]acetamide
CID 111382897
N-tert-butyl-2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide
CID 111383365
N-tert-butyl-2-[[N'-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111385421
N-tert-butyl-2-[[N'-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]carbamimidoyl]amino]acetamide
CID 111385422
N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111464972
2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111493072
2-[[N-[2-(tert-butylamino)-2-oxoethyl]-N,N'-dimethylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501461
2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501469

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide (CID 111382600) is N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCC(=O)N1CCCC1.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide?
The InChIKey is PVPLSRNFVSIHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O2/c1-5-16-14(17-10-12(21)19-15(2,3)4)18-11-13(22)20-8-6-7-9-20/h5-11H2,1-4H3,(H,19,21)(H2,16,17,18).
What are the key properties of N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide?
N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide has a molecular weight of 311.43 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 111382600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).