ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide

C17H33NO2 — CID 142103663

IUPACethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
SMILESCC.CC.CCC(=O)NCCCOC1C=CC(C)=CC1
InChIInChI=1S/C13H21NO2.2C2H6/c1-3-13(15)14-9-4-10-16-12-7-5-11(2)6-8-12;2*1-2/h5-7,12H,3-4,8-10H2,1-2H3,(H,14,15);2*1-2H3
InChIKeyHMSMDFQYWIFADI-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.25
Rot. Bonds6

About ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide

ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide (PubChem CID 142103663) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide.

Molecular Properties

Compound Nameethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
PubChem CID142103663
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
SMILESCC.CC.CCC(=O)NCCCOC1C=CC(C)=CC1
InChIInChI=1S/C13H21NO2.2C2H6/c1-3-13(15)14-9-4-10-16-12-7-5-11(2)6-8-12;2*1-2/h5-7,12H,3-4,8-10H2,1-2H3,(H,14,15);2*1-2H3
InChIKeyHMSMDFQYWIFADI-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073483
N-(3-aminopropyl)-3-[(3S)-3-methoxycyclohexa-1,5-dien-1-yl]prop-2-ynamide
CID 89535895
N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide
CID 91252463
3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide
CID 134394468
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;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide
CID 142894613
N-[2-(6-methoxy-6H-benzo[7]annulen-4-yl)ethyl]acetamide
CID 144251328
N-(3-aminopropyl)acetamide;ethane;(4Z)-3-ethoxy-2-methylhexa-2,4-diene;(Z)-4-methylidenehex-2-ene
CID 144402232
N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide
CID 154930851
N-[3-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]propanamide
CID 169228677
N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen
CID 170755581

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide?
The IUPAC name of ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide (CID 142103663) is ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide.
What is the SMILES notation for ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide?
The canonical SMILES for ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide is CC.CC.CCC(=O)NCCCOC1C=CC(C)=CC1.
What is the InChIKey of ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide?
The InChIKey is HMSMDFQYWIFADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.2C2H6/c1-3-13(15)14-9-4-10-16-12-7-5-11(2)6-8-12;2*1-2/h5-7,12H,3-4,8-10H2,1-2H3,(H,14,15);2*1-2H3.
What are the key properties of ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide?
ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide has a molecular weight of 283.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide is sourced from PubChem (CID 142103663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).