N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide

C13H26N4O2 — CID 111831722

IUPACN-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC(C)(C)C)NCC1(C)COC1
InChIInChI=1S/C13H26N4O2/c1-12(2,3)17-10(18)6-15-11(14-5)16-7-13(4)8-19-9-13/h6-9H2,1-5H3,(H,17,18)(H2,14,15,16)
InChIKeyDHUQNZBTOWRTGD-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.10
Rot. Bonds4

About N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide

N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide (PubChem CID 111831722) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide
PubChem CID111831722
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC(C)(C)C)NCC1(C)COC1
InChIInChI=1S/C13H26N4O2/c1-12(2,3)17-10(18)6-15-11(14-5)16-7-13(4)8-19-9-13/h6-9H2,1-5H3,(H,17,18)(H2,14,15,16)
InChIKeyDHUQNZBTOWRTGD-UHFFFAOYSA-N
XLogP0.10
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
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'}

Analyze N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111831691
N-tert-butyl-2-[[N'-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111518742
N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110965911
N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111384012
N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 75532327
N-tert-butyl-2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111003765
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111828269
N-tert-butyl-2-[(N-butyl-N'-methylcarbamimidoyl)amino]acetamide
CID 111149820
2-[[N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111384410
N-tert-butyl-2-[[N'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111385075
N-tert-butyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111124289
N-tert-butyl-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]acetamide
CID 111128589

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide (CID 111831722) is N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide is C/N=C(\NCC(=O)NC(C)(C)C)NCC1(C)COC1.
What is the InChIKey of N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide?
The InChIKey is DHUQNZBTOWRTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-12(2,3)17-10(18)6-15-11(14-5)16-7-13(4)8-19-9-13/h6-9H2,1-5H3,(H,17,18)(H2,14,15,16).
What are the key properties of N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide?
N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide has a molecular weight of 270.38 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide is sourced from PubChem (CID 111831722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).