(5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide

C17H34N2O3 — CID 163255331

IUPAC(5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide
SMILESCC[C@H](C)C(C)C(CC(=O)NCCCCCCC(N)=O)OC
InChIInChI=1S/C17H34N2O3/c1-5-13(2)14(3)15(22-4)12-17(21)19-11-9-7-6-8-10-16(18)20/h13-15H,5-12H2,1-4H3,(H2,18,20)(H,19,21)/t13-,14?,15?/m0/s1
InChIKeyQBHFMSCSLGIFOM-NFOMZHRRSA-N
MW314.47 g/mol
LogP2.63
Rot. Bonds13

About (5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide

(5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide (PubChem CID 163255331) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is (5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide.

Molecular Properties

Compound Name(5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide
PubChem CID163255331
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Name(5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide
SMILESCC[C@H](C)C(C)C(CC(=O)NCCCCCCC(N)=O)OC
InChIInChI=1S/C17H34N2O3/c1-5-13(2)14(3)15(22-4)12-17(21)19-11-9-7-6-8-10-16(18)20/h13-15H,5-12H2,1-4H3,(H2,18,20)(H,19,21)/t13-,14?,15?/m0/s1
InChIKeyQBHFMSCSLGIFOM-NFOMZHRRSA-N
XLogP2.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.63
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

(3R,4S,5S)-N-[(5S,6R)-7-amino-5-methoxy-6-methyl-7-oxoheptyl]-3-methoxy-4,5-dimethylheptanamide
CID 163255328
11-(propanoylamino)undecanamide
CID 89244012
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
N'-heptylundecanediamide;propanoic acid
CID 175230905
(3R,4S,5S)-N-[(5S,6R)-7-amino-5-methoxy-6-methyl-7-oxoheptyl]-3-methoxy-5-methyl-4-[methyl(3-methylbutanoyl)amino]heptanamide
CID 135219505
N'-(3-methoxypropyl)decanediamide
CID 89083408

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide?
The IUPAC name of (5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide (CID 163255331) is (5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide.
What is the SMILES notation for (5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide?
The canonical SMILES for (5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide is CC[C@H](C)C(C)C(CC(=O)NCCCCCCC(N)=O)OC.
What is the InChIKey of (5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide?
The InChIKey is QBHFMSCSLGIFOM-NFOMZHRRSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-5-13(2)14(3)15(22-4)12-17(21)19-11-9-7-6-8-10-16(18)20/h13-15H,5-12H2,1-4H3,(H2,18,20)(H,19,21)/t13-,14?,15?/m0/s1.
What are the key properties of (5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide?
(5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide has a molecular weight of 314.47 g/mol, XLogP of 2.63, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide is sourced from PubChem (CID 163255331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).