N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide

C16H32N4O — CID 109482961

IUPACN-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
SMILESC=CCCCCCN(C)/C(=N/C)NCC(=O)NC(C)(C)C
InChIInChI=1S/C16H32N4O/c1-7-8-9-10-11-12-20(6)15(17-5)18-13-14(21)19-16(2,3)4/h7H,1,8-13H2,2-6H3,(H,17,18)(H,19,21)
InChIKeyZPNZWFFAPXYUPB-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.15
Rot. Bonds8

About N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide

N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide (PubChem CID 109482961) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
PubChem CID109482961
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
SMILESC=CCCCCCN(C)/C(=N/C)NCC(=O)NC(C)(C)C
InChIInChI=1S/C16H32N4O/c1-7-8-9-10-11-12-20(6)15(17-5)18-13-14(21)19-16(2,3)4/h7H,1,8-13H2,2-6H3,(H,17,18)(H,19,21)
InChIKeyZPNZWFFAPXYUPB-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide (CID 109482961) is N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide is C=CCCCCCN(C)/C(=N/C)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide?
The InChIKey is ZPNZWFFAPXYUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-7-8-9-10-11-12-20(6)15(17-5)18-13-14(21)19-16(2,3)4/h7H,1,8-13H2,2-6H3,(H,17,18)(H,19,21).
What are the key properties of N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide?
N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide has a molecular weight of 296.46 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide is sourced from PubChem (CID 109482961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).