methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate

C19H17NO4 — CID 40632655

IUPACmethyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)c1ccco1)c1cccc2ccccc12
InChIInChI=1S/C19H17NO4/c1-23-18(21)12-16(20-19(22)17-10-5-11-24-17)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,16H,12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyNBJCEJFMSLIDSR-INIZCTEOSA-N
MW323.35 g/mol
LogP3.47
Rot. Bonds5

About methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate

methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate (PubChem CID 40632655) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate
PubChem CID40632655
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)c1ccco1)c1cccc2ccccc12
InChIInChI=1S/C19H17NO4/c1-23-18(21)12-16(20-19(22)17-10-5-11-24-17)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,16H,12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyNBJCEJFMSLIDSR-INIZCTEOSA-N
XLogP3.47
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate
CID 3770582
N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide
CID 22300394
methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
CID 140505249
methyl 3-hydroperoxy-3-naphthalen-1-ylpropanoate
CID 89115369
ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 3541433
N-[(1R)-1-phenylbutyl]furan-2-carboxamide
CID 29086850
(3S)-3-(furan-2-carbonylamino)-3-phenylpropanoate
CID 6942649
methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate
CID 55440381
methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate
CID 164669647
N-[3-methyl-1-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 17471674
(3S)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 738792
tert-butyl (3R)-3-(benzylamino)-3-naphthalen-1-ylpropanoate
CID 101235687

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate?
The IUPAC name of methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate (CID 40632655) is methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate.
What is the SMILES notation for methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate?
The canonical SMILES for methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate is COC(=O)C[C@H](NC(=O)c1ccco1)c1cccc2ccccc12.
What is the InChIKey of methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate?
The InChIKey is NBJCEJFMSLIDSR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-18(21)12-16(20-19(22)17-10-5-11-24-17)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,16H,12H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate?
methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate has a molecular weight of 323.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate is sourced from PubChem (CID 40632655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).