N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide

C14H26N6O — CID 111767771

IUPACN-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide
SMILESC/N=C(/NCCn1cc(C)cn1)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H26N6O/c1-11-8-18-20(10-11)7-6-16-13(15-5)17-9-12(21)19-14(2,3)4/h8,10H,6-7,9H2,1-5H3,(H,19,21)(H2,15,16,17)
InChIKeyLZHXYIFHCGYERQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.27
Rot. Bonds5

About N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide

N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide (PubChem CID 111767771) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide
PubChem CID111767771
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC NameN-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide
SMILESC/N=C(/NCCn1cc(C)cn1)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H26N6O/c1-11-8-18-20(10-11)7-6-16-13(15-5)17-9-12(21)19-14(2,3)4/h8,10H,6-7,9H2,1-5H3,(H,19,21)(H2,15,16,17)
InChIKeyLZHXYIFHCGYERQ-UHFFFAOYSA-N
XLogP0.27
TPSA83.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.27
H-Bond Donors ≤ 53
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

N-tert-butyl-2-[[N'-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamimidoyl]amino]acetamide
CID 111384827
1-butyl-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111761388
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111768786
N-tert-butyl-2-[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111649380
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 111759336
N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232712
N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111384012
N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111382693
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111769441
N-tert-butyl-2-[[N'-methyl-N-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]carbamimidoyl]amino]acetamide
CID 111384421
2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid
CID 113363990
N-tert-butyl-2-[(N-butyl-N'-methylcarbamimidoyl)amino]acetamide
CID 111149820

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide (CID 111767771) is N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide is C/N=C(/NCCn1cc(C)cn1)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide?
The InChIKey is LZHXYIFHCGYERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-11-8-18-20(10-11)7-6-16-13(15-5)17-9-12(21)19-14(2,3)4/h8,10H,6-7,9H2,1-5H3,(H,19,21)(H2,15,16,17).
What are the key properties of N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide?
N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide has a molecular weight of 294.40 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide is sourced from PubChem (CID 111767771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).