N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide

C13H23NO3 — CID 163497088

IUPACN-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide
SMILESC=C(O)/C=C(/C)CCCN(CCOC)C(C)=O
InChIInChI=1S/C13H23NO3/c1-11(10-12(2)15)6-5-7-14(13(3)16)8-9-17-4/h10,15H,2,5-9H2,1,3-4H3/b11-10-
InChIKeyCRQGBFJWDINODI-KHPPLWFESA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds8

About N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide

N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide (PubChem CID 163497088) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide
PubChem CID163497088
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide
SMILESC=C(O)/C=C(/C)CCCN(CCOC)C(C)=O
InChIInChI=1S/C13H23NO3/c1-11(10-12(2)15)6-5-7-14(13(3)16)8-9-17-4/h10,15H,2,5-9H2,1,3-4H3/b11-10-
InChIKeyCRQGBFJWDINODI-KHPPLWFESA-N
XLogP2.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide
CID 113116872
3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide
CID 113117131
3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113116886
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279
methyl 3-[2-[4-[acetyl-[4-[2-[bis(3-methoxy-3-oxopropyl)amino]ethylamino]-4-oxobutyl]amino]butanoylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59248902
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
4-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 76910282
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
2-[acetyl(2-methoxyethyl)amino]-N-propan-2-ylacetamide
CID 113159791
N-(2-methoxyethyl)-2-methyl-N-propylprop-2-enamide
CID 91054907
3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115524
2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide
CID 113159991

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide (CID 163497088) is N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide is C=C(O)/C=C(/C)CCCN(CCOC)C(C)=O.
What is the InChIKey of N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is CRQGBFJWDINODI-KHPPLWFESA-N. The full InChI is InChI=1S/C13H23NO3/c1-11(10-12(2)15)6-5-7-14(13(3)16)8-9-17-4/h10,15H,2,5-9H2,1,3-4H3/b11-10-.
What are the key properties of N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide?
N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 163497088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).