N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide

C14H23NO2 — CID 170755582

IUPACN-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide
SMILESCC(CNC(=O)C(C)C)OCC1=CCCC=C1
InChIInChI=1S/C14H23NO2/c1-11(2)14(16)15-9-12(3)17-10-13-7-5-4-6-8-13/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,15,16)
InChIKeyDJTOPXJNSVRZHF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide

N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide (PubChem CID 170755582) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide
PubChem CID170755582
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide
SMILESCC(CNC(=O)C(C)C)OCC1=CCCC=C1
InChIInChI=1S/C14H23NO2/c1-11(2)14(16)15-9-12(3)17-10-13-7-5-4-6-8-13/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,15,16)
InChIKeyDJTOPXJNSVRZHF-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide?
The IUPAC name of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide (CID 170755582) is N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide is CC(CNC(=O)C(C)C)OCC1=CCCC=C1.
What is the InChIKey of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide?
The InChIKey is DJTOPXJNSVRZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)14(16)15-9-12(3)17-10-13-7-5-4-6-8-13/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide?
N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide has a molecular weight of 237.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide is sourced from PubChem (CID 170755582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).