N-[(5S)-5-ethyl-6-oxoheptyl]formamide

C10H19NO2 — CID 159837872

IUPACN-[(5S)-5-ethyl-6-oxoheptyl]formamide
SMILESCC[C@@H](CCCCNC=O)C(C)=O
InChIInChI=1S/C10H19NO2/c1-3-10(9(2)13)6-4-5-7-11-8-12/h8,10H,3-7H2,1-2H3,(H,11,12)/t10-/m0/s1
InChIKeyYARGORRUFSJTLX-JTQLQIEISA-N
MW185.27 g/mol
LogP1.52
Rot. Bonds8

About N-[(5S)-5-ethyl-6-oxoheptyl]formamide

N-[(5S)-5-ethyl-6-oxoheptyl]formamide (PubChem CID 159837872) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(5S)-5-ethyl-6-oxoheptyl]formamide.

Molecular Properties

Compound NameN-[(5S)-5-ethyl-6-oxoheptyl]formamide
PubChem CID159837872
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(5S)-5-ethyl-6-oxoheptyl]formamide
SMILESCC[C@@H](CCCCNC=O)C(C)=O
InChIInChI=1S/C10H19NO2/c1-3-10(9(2)13)6-4-5-7-11-8-12/h8,10H,3-7H2,1-2H3,(H,11,12)/t10-/m0/s1
InChIKeyYARGORRUFSJTLX-JTQLQIEISA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-formamidohexyl)-2-methylbutanamide
CID 143259123
bis(2,2-dimethylpentan-3-one);tris((3S)-3-ethyl-7-(methylamino)heptan-2-one);propane
CID 163708383
3-(2-aminoprop-2-enyl)heptan-2-one;ethane;hexane;N-(4-hydroxybutyl)formamide
CID 142070817
(3S)-7-(methylamino)-3-propylheptan-2-one
CID 159849059
CID 158613455
CID 158613455
N-(5-heptyltridecyl)formamide
CID 166649045
N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 54227933
6-formamido-N-pentan-3-ylhexanamide
CID 177031400
6-ethoxy-3-ethylhexan-2-one
CID 65180817
2-ethyl-N-pentylhexanamide
CID 5123867
3-pentylnonan-2-one
CID 21290467
3-ethyl-5-fluoropentan-2-one
CID 80696730

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-ethyl-6-oxoheptyl]formamide?
The IUPAC name of N-[(5S)-5-ethyl-6-oxoheptyl]formamide (CID 159837872) is N-[(5S)-5-ethyl-6-oxoheptyl]formamide.
What is the SMILES notation for N-[(5S)-5-ethyl-6-oxoheptyl]formamide?
The canonical SMILES for N-[(5S)-5-ethyl-6-oxoheptyl]formamide is CC[C@@H](CCCCNC=O)C(C)=O.
What is the InChIKey of N-[(5S)-5-ethyl-6-oxoheptyl]formamide?
The InChIKey is YARGORRUFSJTLX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-10(9(2)13)6-4-5-7-11-8-12/h8,10H,3-7H2,1-2H3,(H,11,12)/t10-/m0/s1.
What are the key properties of N-[(5S)-5-ethyl-6-oxoheptyl]formamide?
N-[(5S)-5-ethyl-6-oxoheptyl]formamide has a molecular weight of 185.27 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-ethyl-6-oxoheptyl]formamide is sourced from PubChem (CID 159837872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).