6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide

C18H37N3O2 — CID 118297969

IUPAC6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide
SMILESCCC(N)CC(CC(C)C(=O)NC(C)(C)CC(C)(C)C)NC=O
InChIInChI=1S/C18H37N3O2/c1-8-14(19)10-15(20-12-22)9-13(2)16(23)21-18(6,7)11-17(3,4)5/h12-15H,8-11,19H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyIPCAHGIENNOBIQ-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.59
Rot. Bonds10

About 6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide

6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide (PubChem CID 118297969) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is 6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide.

Molecular Properties

Compound Name6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide
PubChem CID118297969
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Name6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide
SMILESCCC(N)CC(CC(C)C(=O)NC(C)(C)CC(C)(C)C)NC=O
InChIInChI=1S/C18H37N3O2/c1-8-14(19)10-15(20-12-22)9-13(2)16(23)21-18(6,7)11-17(3,4)5/h12-15H,8-11,19H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyIPCAHGIENNOBIQ-UHFFFAOYSA-N
XLogP2.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide?
The IUPAC name of 6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide (CID 118297969) is 6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide.
What is the SMILES notation for 6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide?
The canonical SMILES for 6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide is CCC(N)CC(CC(C)C(=O)NC(C)(C)CC(C)(C)C)NC=O.
What is the InChIKey of 6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide?
The InChIKey is IPCAHGIENNOBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-8-14(19)10-15(20-12-22)9-13(2)16(23)21-18(6,7)11-17(3,4)5/h12-15H,8-11,19H2,1-7H3,(H,20,22)(H,21,23).
What are the key properties of 6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide?
6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide has a molecular weight of 327.51 g/mol, XLogP of 2.59, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)octanamide is sourced from PubChem (CID 118297969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).