N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide

C20H29NO2 — CID 174319014

IUPACN-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide
SMILESC=CC1=C(C(=C)/C=C\C=C/CC)OC(C(C)NC(=O)CC)CC1
InChIInChI=1S/C20H29NO2/c1-6-9-10-11-12-15(4)20-17(7-2)13-14-18(23-20)16(5)21-19(22)8-3/h7,9-12,16,18H,2,4,6,8,13-14H2,1,3,5H3,(H,21,22)/b10-9-,12-11-
InChIKeyWUXXAUBBQIYDEL-BASFJDSNSA-N
MW315.46 g/mol
LogP4.60
Rot. Bonds8

About N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide

N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide (PubChem CID 174319014) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide
PubChem CID174319014
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC NameN-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide
SMILESC=CC1=C(C(=C)/C=C\C=C/CC)OC(C(C)NC(=O)CC)CC1
InChIInChI=1S/C20H29NO2/c1-6-9-10-11-12-15(4)20-17(7-2)13-14-18(23-20)16(5)21-19(22)8-3/h7,9-12,16,18H,2,4,6,8,13-14H2,1,3,5H3,(H,21,22)/b10-9-,12-11-
InChIKeyWUXXAUBBQIYDEL-BASFJDSNSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide?
The IUPAC name of N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide (CID 174319014) is N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide?
The canonical SMILES for N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide is C=CC1=C(C(=C)/C=C\C=C/CC)OC(C(C)NC(=O)CC)CC1.
What is the InChIKey of N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide?
The InChIKey is WUXXAUBBQIYDEL-BASFJDSNSA-N. The full InChI is InChI=1S/C20H29NO2/c1-6-9-10-11-12-15(4)20-17(7-2)13-14-18(23-20)16(5)21-19(22)8-3/h7,9-12,16,18H,2,4,6,8,13-14H2,1,3,5H3,(H,21,22)/b10-9-,12-11-.
What are the key properties of N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide?
N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide has a molecular weight of 315.46 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide is sourced from PubChem (CID 174319014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).