N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide

C16H32N2O2 — CID 59260631

IUPACN-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide
SMILESCCCC(=O)NCCCCC(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C16H32N2O2/c1-6-9-15(19)17-11-8-7-10-14(18-13(4)5)16(20)12(2)3/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyJVLZHUWVYNLPGW-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.66
Rot. Bonds11

About N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide

N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide (PubChem CID 59260631) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide.

Molecular Properties

Compound NameN-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide
PubChem CID59260631
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide
SMILESCCCC(=O)NCCCCC(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C16H32N2O2/c1-6-9-15(19)17-11-8-7-10-14(18-13(4)5)16(20)12(2)3/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyJVLZHUWVYNLPGW-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide?
The IUPAC name of N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide (CID 59260631) is N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide.
What is the SMILES notation for N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide?
The canonical SMILES for N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide is CCCC(=O)NCCCCC(NC(C)C)C(=O)C(C)C.
What is the InChIKey of N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide?
The InChIKey is JVLZHUWVYNLPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-9-15(19)17-11-8-7-10-14(18-13(4)5)16(20)12(2)3/h12-14,18H,6-11H2,1-5H3,(H,17,19).
What are the key properties of N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide?
N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide has a molecular weight of 284.44 g/mol, XLogP of 2.66, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide is sourced from PubChem (CID 59260631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).