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

C14H25NO2 — CID 170755581

IUPACN-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen
SMILESCC(CNC(=O)C(C)C)OCC1=CCCC=C1.[H][H]
InChIInChI=1S/C14H23NO2.H2/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);1H
InChIKeyKSXLRWFSTBAEIY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.69
Rot. Bonds6

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

N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen (PubChem CID 170755581) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen
PubChem CID170755581
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen
SMILESCC(CNC(=O)C(C)C)OCC1=CCCC=C1.[H][H]
InChIInChI=1S/C14H23NO2.H2/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);1H
InChIKeyKSXLRWFSTBAEIY-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bisacetamidomethylpyran
CID 129648035
[(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium
CID 59753079
N-(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)-2-methylpropanamide
CID 68200759
Ethyl 2-[2-(6-methoxy-6,7-dihydronaphthalen-2-yl)propanoylamino]acetate
CID 89729720
N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide
CID 91252463
2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide
CID 139400788
N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide
CID 141008900
N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
CID 142103653
ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
CID 142103663
N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide
CID 142122290
ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide
CID 142894613
N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide
CID 143185233

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen (CID 170755581) is N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen is CC(CNC(=O)C(C)C)OCC1=CCCC=C1.[H][H].
What is the InChIKey of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is KSXLRWFSTBAEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.H2/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);1H.
What are the key properties of N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen?
N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 239.36 g/mol, XLogP of 2.69, 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;molecular hydrogen is sourced from PubChem (CID 170755581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).