N-tert-butyl-7-prop-2-enoxyheptanamide

C14H27NO2 — CID 59532861

IUPACN-tert-butyl-7-prop-2-enoxyheptanamide
SMILESC=CCOCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-5-11-17-12-9-7-6-8-10-13(16)15-14(2,3)4/h5H,1,6-12H2,2-4H3,(H,15,16)
InChIKeyLAOOXOZWVFZOIH-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.05
Rot. Bonds9

About N-tert-butyl-7-prop-2-enoxyheptanamide

N-tert-butyl-7-prop-2-enoxyheptanamide (PubChem CID 59532861) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-tert-butyl-7-prop-2-enoxyheptanamide.

Molecular Properties

Compound NameN-tert-butyl-7-prop-2-enoxyheptanamide
PubChem CID59532861
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-tert-butyl-7-prop-2-enoxyheptanamide
SMILESC=CCOCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-5-11-17-12-9-7-6-8-10-13(16)15-14(2,3)4/h5H,1,6-12H2,2-4H3,(H,15,16)
InChIKeyLAOOXOZWVFZOIH-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-prop-2-enoxypropanamide
CID 59532832
N,N'-ditert-butylhexanediamide
CID 3593481
[5-(tert-butylamino)-5-oxopentyl] prop-2-enoate
CID 59532918
N-tert-butylhex-5-enamide
CID 15640339
N-tert-butyl-11,11-dimethyl-10-oxododecanamide
CID 176809093
N'-tert-butyl-N-propan-2-ylundecanediamide
CID 161329550
3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide
CID 134421875
N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide
CID 159080379
N-tert-butyl-4-hydroxybutanamide
CID 11829724
N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide
CID 119641759
4-methyl-3-(4-prop-2-enoxybutanoylamino)benzoic acid
CID 119219418
1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane
CID 11218120

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-prop-2-enoxyheptanamide?
The IUPAC name of N-tert-butyl-7-prop-2-enoxyheptanamide (CID 59532861) is N-tert-butyl-7-prop-2-enoxyheptanamide.
What is the SMILES notation for N-tert-butyl-7-prop-2-enoxyheptanamide?
The canonical SMILES for N-tert-butyl-7-prop-2-enoxyheptanamide is C=CCOCCCCCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-7-prop-2-enoxyheptanamide?
The InChIKey is LAOOXOZWVFZOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-11-17-12-9-7-6-8-10-13(16)15-14(2,3)4/h5H,1,6-12H2,2-4H3,(H,15,16).
What are the key properties of N-tert-butyl-7-prop-2-enoxyheptanamide?
N-tert-butyl-7-prop-2-enoxyheptanamide has a molecular weight of 241.37 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-prop-2-enoxyheptanamide is sourced from PubChem (CID 59532861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).