N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide

C14H23NO2 — CID 142103653

IUPACN-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
SMILESCCC(=O)NCCCOC1(C)C=CC(C)=CC1
InChIInChI=1S/C14H23NO2/c1-4-13(16)15-10-5-11-17-14(3)8-6-12(2)7-9-14/h6-8H,4-5,9-11H2,1-3H3,(H,15,16)
InChIKeySSSYJUMCZWNMCU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.58
Rot. Bonds6

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

N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide (PubChem CID 142103653) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide.

Molecular Properties

Compound NameN-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
PubChem CID142103653
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
SMILESCCC(=O)NCCCOC1(C)C=CC(C)=CC1
InChIInChI=1S/C14H23NO2/c1-4-13(16)15-10-5-11-17-14(3)8-6-12(2)7-9-14/h6-8H,4-5,9-11H2,1-3H3,(H,15,16)
InChIKeySSSYJUMCZWNMCU-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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

(3Z,5E)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-3,5,15,17-tetraen-13-one
CID 70874881
2,8-Dioxa-12-azabicyclo[12.4.0]octadeca-3,5,15,17-tetraen-13-one
CID 77935922
N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073483
N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide
CID 91252463
N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide
CID 141008900
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-(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
N-[2-(2-methoxyfluoren-2-yl)ethyl]acetamide
CID 177717099

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide?
The IUPAC name of N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide (CID 142103653) is N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide.
What is the SMILES notation for N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide?
The canonical SMILES for N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide is CCC(=O)NCCCOC1(C)C=CC(C)=CC1.
What is the InChIKey of N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide?
The InChIKey is SSSYJUMCZWNMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-13(16)15-10-5-11-17-14(3)8-6-12(2)7-9-14/h6-8H,4-5,9-11H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide?
N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide has a molecular weight of 237.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide is sourced from PubChem (CID 142103653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).