7-prop-2-ynoxyheptanamide

C10H17NO2 — CID 91308975

IUPAC7-prop-2-ynoxyheptanamide
SMILESC#CCOCCCCCCC(N)=O
InChIInChI=1S/C10H17NO2/c1-2-8-13-9-6-4-3-5-7-10(11)12/h1H,3-9H2,(H2,11,12)
InChIKeyNDQLWIQNRCSTIW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.07
Rot. Bonds8

About 7-prop-2-ynoxyheptanamide

7-prop-2-ynoxyheptanamide (PubChem CID 91308975) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 7-prop-2-ynoxyheptanamide.

Molecular Properties

Compound Name7-prop-2-ynoxyheptanamide
PubChem CID91308975
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name7-prop-2-ynoxyheptanamide
SMILESC#CCOCCCCCCC(N)=O
InChIInChI=1S/C10H17NO2/c1-2-8-13-9-6-4-3-5-7-10(11)12/h1H,3-9H2,(H2,11,12)
InChIKeyNDQLWIQNRCSTIW-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Ethoxyheptanamide
CID 91145527
6-(Heptyloxy)hexanamide
CID 552601
12-Methoxydodecanamide
CID 9837504
(7-Amino-7-oxoheptyl) acetate
CID 53854479
6-Carbamoyl-hexanoic acid ethyl ester
CID 54298074
10-Propoxydecanamide
CID 54324028
Hexyl 7-amino-7-oxoheptanoate
CID 54544954
8-Methoxyoctanamide
CID 57119979
7-Methoxyheptanamide
CID 87333587
8-Propoxyoctanamide
CID 88064709
20-Pentoxyicosanamide
CID 89321656
6-Prop-2-ynoxyhexanamide
CID 91208920

Frequently Asked Questions

What is the IUPAC name of 7-prop-2-ynoxyheptanamide?
The IUPAC name of 7-prop-2-ynoxyheptanamide (CID 91308975) is 7-prop-2-ynoxyheptanamide.
What is the SMILES notation for 7-prop-2-ynoxyheptanamide?
The canonical SMILES for 7-prop-2-ynoxyheptanamide is C#CCOCCCCCCC(N)=O.
What is the InChIKey of 7-prop-2-ynoxyheptanamide?
The InChIKey is NDQLWIQNRCSTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-8-13-9-6-4-3-5-7-10(11)12/h1H,3-9H2,(H2,11,12).
What are the key properties of 7-prop-2-ynoxyheptanamide?
7-prop-2-ynoxyheptanamide has a molecular weight of 183.25 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-ynoxyheptanamide is sourced from PubChem (CID 91308975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).