(E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide

C26H44N2O4 — CID 145476828

IUPAC(E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide
SMILESCOCCCOc1cc(CC(C/C=C/CC(C(=O)N(C)C)C(C)C)C(C)C)cnc1OC
InChIInChI=1S/C26H44N2O4/c1-19(2)22(12-9-10-13-23(20(3)4)26(29)28(5)6)16-21-17-24(25(31-8)27-18-21)32-15-11-14-30-7/h9-10,17-20,22-23H,11-16H2,1-8H3/b10-9+
InChIKeyGRJMHBRNWDVARZ-MDZDMXLPSA-N
MW448.65 g/mol
LogP5.02
Rot. Bonds15

About (E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide

(E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide (PubChem CID 145476828) has the molecular formula C26H44N2O4 and a molecular weight of 448.65 g/mol. Its IUPAC name is (E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide.

Molecular Properties

Compound Name(E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide
PubChem CID145476828
Molecular FormulaC26H44N2O4
Molecular Weight448.65 g/mol
Exact Mass448.33
IUPAC Name(E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide
SMILESCOCCCOc1cc(CC(C/C=C/CC(C(=O)N(C)C)C(C)C)C(C)C)cnc1OC
InChIInChI=1S/C26H44N2O4/c1-19(2)22(12-9-10-13-23(20(3)4)26(29)28(5)6)16-21-17-24(25(31-8)27-18-21)32-15-11-14-30-7/h9-10,17-20,22-23H,11-16H2,1-8H3/b10-9+
InChIKeyGRJMHBRNWDVARZ-MDZDMXLPSA-N
XLogP5.02
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,2S,7R)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnon-4-enoate
CID 53486195
7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnon-4-enoic acid
CID 67991948
(2S,7R)-7-[[4-methoxy-3-(2-methoxyethoxymethyl)phenyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide
CID 91532213
(2S,7S)-7-[4-methoxy-3-(3-methoxypropoxy)benzoyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide
CID 67407667
8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-N,N-dimethyl-2,7-di(propan-2-yl)nona-4,8-dienamide
CID 90734071
(E,2S)-7-[3-(3-methoxypropoxy)-4-(trideuteriomethoxy)benzoyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide
CID 59326294
[(4S)-4-[2-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]ethyl]-2,5-dimethylhexan-2-yl]carbamic acid
CID 175449453
[(6S)-6-amino-3-(cyclopropylmethylcarbamoyl)-8-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-2,9-dimethyldecan-5-yl] 2-amino-3-methylbutanoate
CID 67594181
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-(cyclopropylmethyl)-4-hydroxy-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 67593104
(R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 155758066
1-[[(3S,5S,6S,8S)-8-(cyclopropylmethylcarbamoyl)-6-hydroxy-3-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-2,9-dimethyldecan-5-yl]carbamoyloxy]ethyl 2-methylpropanoate
CID 69176601
(E,2S,7S)-7-[4-ethenoxy-3-(3-ethenoxypropoxy)benzoyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide
CID 163815531

Frequently Asked Questions

What is the IUPAC name of (E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide?
The IUPAC name of (E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide (CID 145476828) is (E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide.
What is the SMILES notation for (E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide?
The canonical SMILES for (E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide is COCCCOc1cc(CC(C/C=C/CC(C(=O)N(C)C)C(C)C)C(C)C)cnc1OC.
What is the InChIKey of (E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide?
The InChIKey is GRJMHBRNWDVARZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C26H44N2O4/c1-19(2)22(12-9-10-13-23(20(3)4)26(29)28(5)6)16-21-17-24(25(31-8)27-18-21)32-15-11-14-30-7/h9-10,17-20,22-23H,11-16H2,1-8H3/b10-9+.
What are the key properties of (E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide?
(E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide has a molecular weight of 448.65 g/mol, XLogP of 5.02, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide is sourced from PubChem (CID 145476828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).