N-(6-formamidohexyl)-2-methylbutanamide

C12H24N2O2 — CID 143259123

IUPACN-(6-formamidohexyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCCCCNC=O
InChIInChI=1S/C12H24N2O2/c1-3-11(2)12(16)14-9-7-5-4-6-8-13-10-15/h10-11H,3-9H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPPLSIODZBSTLDX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.46
Rot. Bonds10

About N-(6-formamidohexyl)-2-methylbutanamide

N-(6-formamidohexyl)-2-methylbutanamide (PubChem CID 143259123) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(6-formamidohexyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(6-formamidohexyl)-2-methylbutanamide
PubChem CID143259123
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(6-formamidohexyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCCCCNC=O
InChIInChI=1S/C12H24N2O2/c1-3-11(2)12(16)14-9-7-5-4-6-8-13-10-15/h10-11H,3-9H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPPLSIODZBSTLDX-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
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-(6-chlorohexyl)-2-methylbutanamide
CID 107846649
N-(5-chloropentyl)-2-methylbutanamide
CID 107321428
2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen
CID 166111944
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
N-[(5S)-5-ethyl-6-oxoheptyl]formamide
CID 159837872
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide
CID 145289155
2-methyl-N-nonyldecanamide
CID 141429494
3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
CID 166773435
6-formamido-N-pentan-3-ylhexanamide
CID 177031400
(2S)-2-aminopropanoic acid;N-octylformamide
CID 87695548

Frequently Asked Questions

What is the IUPAC name of N-(6-formamidohexyl)-2-methylbutanamide?
The IUPAC name of N-(6-formamidohexyl)-2-methylbutanamide (CID 143259123) is N-(6-formamidohexyl)-2-methylbutanamide.
What is the SMILES notation for N-(6-formamidohexyl)-2-methylbutanamide?
The canonical SMILES for N-(6-formamidohexyl)-2-methylbutanamide is CCC(C)C(=O)NCCCCCCNC=O.
What is the InChIKey of N-(6-formamidohexyl)-2-methylbutanamide?
The InChIKey is PPLSIODZBSTLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-11(2)12(16)14-9-7-5-4-6-8-13-10-15/h10-11H,3-9H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-(6-formamidohexyl)-2-methylbutanamide?
N-(6-formamidohexyl)-2-methylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formamidohexyl)-2-methylbutanamide is sourced from PubChem (CID 143259123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).