methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate

C15H21NO3 — CID 163449176

IUPACmethyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate
SMILESCOC(=O)CCCC/C=C(\N)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO3/c1-18-13-10-8-12(9-11-13)14(16)6-4-3-5-7-15(17)19-2/h6,8-11H,3-5,7,16H2,1-2H3/b14-6-
InChIKeyBFDDMDAPISIJNC-NSIKDUERSA-N
MW263.34 g/mol
LogP2.73
Rot. Bonds7

About methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate

methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate (PubChem CID 163449176) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate.

Molecular Properties

Compound Namemethyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate
PubChem CID163449176
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate
SMILESCOC(=O)CCCC/C=C(\N)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO3/c1-18-13-10-8-12(9-11-13)14(16)6-4-3-5-7-15(17)19-2/h6,8-11H,3-5,7,16H2,1-2H3/b14-6-
InChIKeyBFDDMDAPISIJNC-NSIKDUERSA-N
XLogP2.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169370
methyl 6-(hydroxyiminomethyl)-7,7-bis(4-methoxyphenyl)hept-6-enoate
CID 139610660
bis(4-methoxyphenyl) octanedioate
CID 89115465
methyl 8,8-diphenyloct-7-enoate
CID 13104337
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
CID 44543072
methyl 4-formyl-5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169372
methyl 6-(4-methoxyphenyl)heptanoate
CID 174989555
methyl 13-methyltetradec-12-enoate
CID 24973726
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
(E)-2-(4-methoxyphenyl)hex-2-enamide
CID 67977554
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate?
The IUPAC name of methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate (CID 163449176) is methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate.
What is the SMILES notation for methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate?
The canonical SMILES for methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate is COC(=O)CCCC/C=C(\N)c1ccc(OC)cc1.
What is the InChIKey of methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate?
The InChIKey is BFDDMDAPISIJNC-NSIKDUERSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-13-10-8-12(9-11-13)14(16)6-4-3-5-7-15(17)19-2/h6,8-11H,3-5,7,16H2,1-2H3/b14-6-.
What are the key properties of methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate?
methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate has a molecular weight of 263.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate is sourced from PubChem (CID 163449176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).