N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide

C16H28N4O2 — CID 111195464

IUPACN-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
SMILESCCCCCC(C)N/C(=N\C)NCC(=O)NCc1ccco1
InChIInChI=1S/C16H28N4O2/c1-4-5-6-8-13(2)20-16(17-3)19-12-15(21)18-11-14-9-7-10-22-14/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,18,21)(H2,17,19,20)
InChIKeyHUGFHMMECRYZBY-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.03
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide

N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide (PubChem CID 111195464) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
PubChem CID111195464
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
SMILESCCCCCC(C)N/C(=N\C)NCC(=O)NCc1ccco1
InChIInChI=1S/C16H28N4O2/c1-4-5-6-8-13(2)20-16(17-3)19-12-15(21)18-11-14-9-7-10-22-14/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,18,21)(H2,17,19,20)
InChIKeyHUGFHMMECRYZBY-UHFFFAOYSA-N
XLogP2.03
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-(furan-2-ylmethyl)-2-methyl-3-octan-2-ylguanidine
CID 111212393
N-(furan-2-ylmethyl)-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111123829
1-[2-(furan-2-yl)ethyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111194871
1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111173565
N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide
CID 60677219
1-[5-(diethylamino)pentan-2-yl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 110998865
2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]-N-propylacetamide
CID 111195280
N-[2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111195026
N-(furan-2-ylmethyl)-2-[[N'-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111298670
2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide
CID 111195279
N-[2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111212404
N-(furan-2-ylmethyl)-2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]acetamide
CID 110982703

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide (CID 111195464) is N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide is CCCCCC(C)N/C(=N\C)NCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide?
The InChIKey is HUGFHMMECRYZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-5-6-8-13(2)20-16(17-3)19-12-15(21)18-11-14-9-7-10-22-14/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,18,21)(H2,17,19,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide?
N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide is sourced from PubChem (CID 111195464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).