methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate

C23H27NO5 — CID 71619296

IUPACmethyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate
SMILESCOC(=O)CN(C(=O)OC)c1ccccc1/C(C)=C/CCOCc1ccccc1
InChIInChI=1S/C23H27NO5/c1-18(10-9-15-29-17-19-11-5-4-6-12-19)20-13-7-8-14-21(20)24(23(26)28-3)16-22(25)27-2/h4-8,10-14H,9,15-17H2,1-3H3/b18-10+
InChIKeyDYVSCHKYSBQUJC-VCHYOVAHSA-N
MW397.47 g/mol
LogP4.44
Rot. Bonds9

About methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate

methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate (PubChem CID 71619296) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate
PubChem CID71619296
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namemethyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate
SMILESCOC(=O)CN(C(=O)OC)c1ccccc1/C(C)=C/CCOCc1ccccc1
InChIInChI=1S/C23H27NO5/c1-18(10-9-15-29-17-19-11-5-4-6-12-19)20-13-7-8-14-21(20)24(23(26)28-3)16-22(25)27-2/h4-8,10-14H,9,15-17H2,1-3H3/b18-10+
InChIKeyDYVSCHKYSBQUJC-VCHYOVAHSA-N
XLogP4.44
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-5-phenylmethoxypent-2-enoate
CID 71337058
ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
CID 11265152
methyl 8-phenylmethoxyoctanoate
CID 562206
2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
acetic acid;phenylmethoxymethylbenzene
CID 175214238
methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630
2-phenylmethoxyethyl 3-oxobutanoate
CID 14025141
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypent-2-enoic acid
CID 66744702
methyl 3-oxo-4-phenylmethoxybutanoate
CID 12768799
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
CID 142611207
methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate
CID 91155813

Frequently Asked Questions

What is the IUPAC name of methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate?
The IUPAC name of methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate (CID 71619296) is methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate.
What is the SMILES notation for methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate?
The canonical SMILES for methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate is COC(=O)CN(C(=O)OC)c1ccccc1/C(C)=C/CCOCc1ccccc1.
What is the InChIKey of methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate?
The InChIKey is DYVSCHKYSBQUJC-VCHYOVAHSA-N. The full InChI is InChI=1S/C23H27NO5/c1-18(10-9-15-29-17-19-11-5-4-6-12-19)20-13-7-8-14-21(20)24(23(26)28-3)16-22(25)27-2/h4-8,10-14H,9,15-17H2,1-3H3/b18-10+.
What are the key properties of methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate?
methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate has a molecular weight of 397.47 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[N-methoxycarbonyl-2-[(E)-5-phenylmethoxypent-2-en-2-yl]anilino]acetate is sourced from PubChem (CID 71619296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).