N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide

C19H27N5O — CID 111383121

IUPACN-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide
SMILESC/N=C(/NCCc1cccc2cccnc12)NCC(=O)NC(C)(C)C
InChIInChI=1S/C19H27N5O/c1-19(2,3)24-16(25)13-23-18(20-4)22-12-10-15-8-5-7-14-9-6-11-21-17(14)15/h5-9,11H,10,12-13H2,1-4H3,(H,24,25)(H2,20,22,23)
InChIKeyUJBOOPJDUMLTCR-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.86
Rot. Bonds5

About N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide

N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide (PubChem CID 111383121) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide
PubChem CID111383121
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide
SMILESC/N=C(/NCCc1cccc2cccnc12)NCC(=O)NC(C)(C)C
InChIInChI=1S/C19H27N5O/c1-19(2,3)24-16(25)13-23-18(20-4)22-12-10-15-8-5-7-14-9-6-11-21-17(14)15/h5-9,11H,10,12-13H2,1-4H3,(H,24,25)(H2,20,22,23)
InChIKeyUJBOOPJDUMLTCR-UHFFFAOYSA-N
XLogP1.86
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.86
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-tert-butyl-2-[[N'-methyl-N-(2-naphthalen-1-ylethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111383661
N-tert-butyl-2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]acetamide
CID 111193428
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983
N-tert-butyl-2-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111362723
2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111193893
N-tert-butyl-2-[[N'-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamimidoyl]amino]acetamide
CID 111385124
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 111339049
1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 110976485
2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine
CID 111002709
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
N-tert-butyl-2-[[N-[(2-ethoxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 75421235
2-methyl-1-(2-quinolin-8-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111268199

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide (CID 111383121) is N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide is C/N=C(/NCCc1cccc2cccnc12)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide?
The InChIKey is UJBOOPJDUMLTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-19(2,3)24-16(25)13-23-18(20-4)22-12-10-15-8-5-7-14-9-6-11-21-17(14)15/h5-9,11H,10,12-13H2,1-4H3,(H,24,25)(H2,20,22,23).
What are the key properties of N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide?
N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide has a molecular weight of 341.46 g/mol, XLogP of 1.86, 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-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide is sourced from PubChem (CID 111383121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).