N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide

C15H24N4O — CID 110965255

IUPACN-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide
SMILESC/N=C(/NCC(=O)NCc1ccccc1)NC(C)(C)C
InChIInChI=1S/C15H24N4O/c1-15(2,3)19-14(16-4)18-11-13(20)17-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,20)(H2,16,18,19)
InChIKeyGRSNICOFSMJXJV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.27
Rot. Bonds4

About N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide

N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide (PubChem CID 110965255) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide
PubChem CID110965255
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide
SMILESC/N=C(/NCC(=O)NCc1ccccc1)NC(C)(C)C
InChIInChI=1S/C15H24N4O/c1-15(2,3)19-14(16-4)18-11-13(20)17-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,20)(H2,16,18,19)
InChIKeyGRSNICOFSMJXJV-UHFFFAOYSA-N
XLogP1.27
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-benzyl-3-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]propanamide
CID 110965696
N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide
CID 111867274
N-benzyl-2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]acetamide
CID 111383766
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
N-tert-butyl-2-[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111130902
N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110965911
2-[[N-[(4-bromophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111750010
N-benzyl-2-[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111250667
N-benzyl-2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111259110
N-benzyl-2-[[N'-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]acetamide
CID 111295693
N-tert-butyl-2-[[N'-methyl-N-[[3-(phenoxymethyl)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111383537
4-[[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111383520

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide (CID 110965255) is N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide is C/N=C(/NCC(=O)NCc1ccccc1)NC(C)(C)C.
What is the InChIKey of N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide?
The InChIKey is GRSNICOFSMJXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,3)19-14(16-4)18-11-13(20)17-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,20)(H2,16,18,19).
What are the key properties of N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide?
N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide is sourced from PubChem (CID 110965255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).