methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate

C20H23NO3 — CID 66958409

IUPACmethyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C20H23NO3/c1-24-20(23)12-3-2-6-15-21-19(22)14-13-17-10-7-9-16-8-4-5-11-18(16)17/h4-5,7-11,13-14H,2-3,6,12,15H2,1H3,(H,21,22)
InChIKeyPYMFSKFYYKBCPN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.70
Rot. Bonds8

About methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate

methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate (PubChem CID 66958409) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate
PubChem CID66958409
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C20H23NO3/c1-24-20(23)12-3-2-6-15-21-19(22)14-13-17-10-7-9-16-8-4-5-11-18(16)17/h4-5,7-11,13-14H,2-3,6,12,15H2,1H3,(H,21,22)
InChIKeyPYMFSKFYYKBCPN-UHFFFAOYSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide
CID 85325370
methyl 4-[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]butanoate
CID 43052706
methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate
CID 31541090
(E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide
CID 58945391
7-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]heptanoic acid
CID 43240080
8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
CID 89351391
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate
CID 76543369
methyl 4-[[(E)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]butanoate
CID 102534934
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate
CID 175235038

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate?
The IUPAC name of methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate (CID 66958409) is methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate.
What is the SMILES notation for methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate?
The canonical SMILES for methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate is COC(=O)CCCCCNC(=O)C=Cc1cccc2ccccc12.
What is the InChIKey of methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate?
The InChIKey is PYMFSKFYYKBCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-24-20(23)12-3-2-6-15-21-19(22)14-13-17-10-7-9-16-8-4-5-11-18(16)17/h4-5,7-11,13-14H,2-3,6,12,15H2,1H3,(H,21,22).
What are the key properties of methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate?
methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate has a molecular weight of 325.41 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate is sourced from PubChem (CID 66958409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).