N'-(3-methylbutyl)-N-pentyloxamide

C12H24N2O2 — CID 108521757

IUPACN'-(3-methylbutyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C12H24N2O2/c1-4-5-6-8-13-11(15)12(16)14-9-7-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyIESBEPOPOKXNDW-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.46
Rot. Bonds7

About N'-(3-methylbutyl)-N-pentyloxamide

N'-(3-methylbutyl)-N-pentyloxamide (PubChem CID 108521757) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-(3-methylbutyl)-N-pentyloxamide.

Molecular Properties

Compound NameN'-(3-methylbutyl)-N-pentyloxamide
PubChem CID108521757
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN'-(3-methylbutyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C12H24N2O2/c1-4-5-6-8-13-11(15)12(16)14-9-7-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyIESBEPOPOKXNDW-UHFFFAOYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-diheptyloxamide
CID 3417538
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
2-(3-methylbutylamino)-N-pentylacetamide
CID 109005799
N'-[(2R)-butan-2-yl]-N-hexyloxamide
CID 126266523
2-butyl-N-(3-methylbutyl)octanamide
CID 167250980
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane
CID 143772095
N'-(3-chloropropyl)-N-pentyloxamide
CID 108513677
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
N-hexyl-6-methylheptanamide
CID 141197249
2-(5-methylhexylamino)-2-oxoacetic acid
CID 115326868

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutyl)-N-pentyloxamide?
The IUPAC name of N'-(3-methylbutyl)-N-pentyloxamide (CID 108521757) is N'-(3-methylbutyl)-N-pentyloxamide.
What is the SMILES notation for N'-(3-methylbutyl)-N-pentyloxamide?
The canonical SMILES for N'-(3-methylbutyl)-N-pentyloxamide is CCCCCNC(=O)C(=O)NCCC(C)C.
What is the InChIKey of N'-(3-methylbutyl)-N-pentyloxamide?
The InChIKey is IESBEPOPOKXNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-6-8-13-11(15)12(16)14-9-7-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N'-(3-methylbutyl)-N-pentyloxamide?
N'-(3-methylbutyl)-N-pentyloxamide has a molecular weight of 228.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutyl)-N-pentyloxamide is sourced from PubChem (CID 108521757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).