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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Related Compounds

(2R)-2-(carbonofluoridoylamino)-5-[[(5S)-7-methyl-6-oxo-5-(propan-2-ylamino)octyl]amino]-5-oxopentanoic acid
CID 177067624
3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(5S)-7-methyl-6-oxo-5-(propan-2-ylamino)octyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 176584355
4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide
CID 146520641
2-methyl-8-(methylamino)-4-(propan-2-ylamino)octan-3-one
CID 139435461
2-methyl-4-(propan-2-ylamino)-8-(sulfanylamino)octan-3-one
CID 146513972
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
(2S)-2-(hexadecanoylamino)-5-oxo-5-[[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]amino]pentanoic acid
CID 139516784
(2S)-5-[[(5S)-6-amino-6-oxo-5-(propan-2-ylamino)hexyl]amino]-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 139516786
N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
CID 134583654
2-methyl-4,7-bis(propan-2-ylamino)heptan-3-one;9-(6-methylheptanoylamino)-4-oxo-N-propan-2-yl-5-(propan-2-ylamino)-2-[4-(propan-2-ylamino)butyl]nonanamide;6-methyl-N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]heptanamide
CID 164958886
N-[5-(methylamino)-6-[[2-methyl-8-(methylamino)-3-oxooctan-4-yl]amino]-6-oxohexyl]heptanamide
CID 166897489
5-[6-(dodecanoylamino)hexylamino]-5-oxo-4-(propan-2-ylamino)pentanoic acid
CID 174243666

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).