N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide

C15H29NO2 — CID 121459611

IUPACN-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide
SMILESC=CC(=O)NCCC(C)(CC)OCCC(C)CC
InChIInChI=1S/C15H29NO2/c1-6-13(4)9-12-18-15(5,8-3)10-11-16-14(17)7-2/h7,13H,2,6,8-12H2,1,3-5H3,(H,16,17)
InChIKeyQYAMCOPTVIMMNT-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.30
Rot. Bonds10

About N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide

N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide (PubChem CID 121459611) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide
PubChem CID121459611
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide
SMILESC=CC(=O)NCCC(C)(CC)OCCC(C)CC
InChIInChI=1S/C15H29NO2/c1-6-13(4)9-12-18-15(5,8-3)10-11-16-14(17)7-2/h7,13H,2,6,8-12H2,1,3-5H3,(H,16,17)
InChIKeyQYAMCOPTVIMMNT-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide?
The IUPAC name of N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide (CID 121459611) is N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide.
What is the SMILES notation for N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide?
The canonical SMILES for N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide is C=CC(=O)NCCC(C)(CC)OCCC(C)CC.
What is the InChIKey of N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide?
The InChIKey is QYAMCOPTVIMMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-13(4)9-12-18-15(5,8-3)10-11-16-14(17)7-2/h7,13H,2,6,8-12H2,1,3-5H3,(H,16,17).
What are the key properties of N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide?
N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide has a molecular weight of 255.40 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-3-(3-methylpentoxy)pentyl]prop-2-enamide is sourced from PubChem (CID 121459611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).