6-formamido-N-pentan-3-ylhexanamide

C12H24N2O2 — CID 177031400

IUPAC6-formamido-N-pentan-3-ylhexanamide
SMILESCCC(CC)NC(=O)CCCCCNC=O
InChIInChI=1S/C12H24N2O2/c1-3-11(4-2)14-12(16)8-6-5-7-9-13-10-15/h10-11H,3-9H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVBPGZVNZVZFSCH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds10

About 6-formamido-N-pentan-3-ylhexanamide

6-formamido-N-pentan-3-ylhexanamide (PubChem CID 177031400) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-formamido-N-pentan-3-ylhexanamide.

Molecular Properties

Compound Name6-formamido-N-pentan-3-ylhexanamide
PubChem CID177031400
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name6-formamido-N-pentan-3-ylhexanamide
SMILESCCC(CC)NC(=O)CCCCCNC=O
InChIInChI=1S/C12H24N2O2/c1-3-11(4-2)14-12(16)8-6-5-7-9-13-10-15/h10-11H,3-9H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVBPGZVNZVZFSCH-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-yldocosanamide
CID 123339332
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
4-chloro-N-pentan-3-ylbutanamide
CID 16788679
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
methane;N-(10-methyl-9-oxoundecyl)formamide
CID 176664599
N-(6-formamidohexyl)-2-methylbutanamide
CID 143259123
N-(1-aminopentan-3-yl)hexanamide
CID 62652516
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
1-(hexadecanoylamino)propane-1-sulfonic acid
CID 156636169

Frequently Asked Questions

What is the IUPAC name of 6-formamido-N-pentan-3-ylhexanamide?
The IUPAC name of 6-formamido-N-pentan-3-ylhexanamide (CID 177031400) is 6-formamido-N-pentan-3-ylhexanamide.
What is the SMILES notation for 6-formamido-N-pentan-3-ylhexanamide?
The canonical SMILES for 6-formamido-N-pentan-3-ylhexanamide is CCC(CC)NC(=O)CCCCCNC=O.
What is the InChIKey of 6-formamido-N-pentan-3-ylhexanamide?
The InChIKey is VBPGZVNZVZFSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-11(4-2)14-12(16)8-6-5-7-9-13-10-15/h10-11H,3-9H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 6-formamido-N-pentan-3-ylhexanamide?
6-formamido-N-pentan-3-ylhexanamide has a molecular weight of 228.34 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formamido-N-pentan-3-ylhexanamide is sourced from PubChem (CID 177031400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).