6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine

C17H36N2O2 — CID 144918108

IUPAC6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine
SMILESCCC(C)CCCCC(=O)NCC(=O)C(C)C.CCCN
InChIInChI=1S/C14H27NO2.C3H9N/c1-5-12(4)8-6-7-9-14(17)15-10-13(16)11(2)3;1-2-3-4/h11-12H,5-10H2,1-4H3,(H,15,17);2-4H2,1H3
InChIKeyHNBDQSDUERWXPN-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.29
Rot. Bonds10

About 6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine

6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine (PubChem CID 144918108) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine
PubChem CID144918108
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine
SMILESCCC(C)CCCCC(=O)NCC(=O)C(C)C.CCCN
InChIInChI=1S/C14H27NO2.C3H9N/c1-5-12(4)8-6-7-9-14(17)15-10-13(16)11(2)3;1-2-3-4/h11-12H,5-10H2,1-4H3,(H,15,17);2-4H2,1H3
InChIKeyHNBDQSDUERWXPN-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
N'-(3-methyl-2-oxobutyl)pentanediamide
CID 59531401
S-methyl 6-[(3-methyl-2-oxobutyl)amino]-6-oxohexanethioate
CID 166897496
7-amino-N-(2-methylbutyl)heptanamide
CID 62693522
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
N-(hydroxymethyl)-4-methylhexanamide
CID 88779870
N-(5-amino-4-methylpentyl)hexanamide
CID 57163193
3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine
CID 171639588
butane;3-methyloctane;bis(propan-1-amine)
CID 169237271
5-amino-2-[2-[[(4R)-4-carboxy-4-(heptanoylamino)butanoyl]amino]acetyl]pentanoic acid
CID 88647899
16-[[(1S)-1-carboxy-4-[(3-methyl-2-oxobutyl)amino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 168851258

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine?
The IUPAC name of 6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine (CID 144918108) is 6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine.
What is the SMILES notation for 6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine?
The canonical SMILES for 6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine is CCC(C)CCCCC(=O)NCC(=O)C(C)C.CCCN.
What is the InChIKey of 6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine?
The InChIKey is HNBDQSDUERWXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.C3H9N/c1-5-12(4)8-6-7-9-14(17)15-10-13(16)11(2)3;1-2-3-4/h11-12H,5-10H2,1-4H3,(H,15,17);2-4H2,1H3.
What are the key properties of 6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine?
6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine is sourced from PubChem (CID 144918108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).