(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate

C19H17NO5 — CID 43030744

IUPAC(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate
SMILESCOc1ccc2ccc(OC(=O)CCNC(=O)c3ccco3)cc2c1
InChIInChI=1S/C19H17NO5/c1-23-15-6-4-13-5-7-16(12-14(13)11-15)25-18(21)8-9-20-19(22)17-3-2-10-24-17/h2-7,10-12H,8-9H2,1H3,(H,20,22)
InChIKeyNMKKHNJUWGICJV-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.17
Rot. Bonds6

About (7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate

(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate (PubChem CID 43030744) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate
PubChem CID43030744
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate
SMILESCOc1ccc2ccc(OC(=O)CCNC(=O)c3ccco3)cc2c1
InChIInChI=1S/C19H17NO5/c1-23-15-6-4-13-5-7-16(12-14(13)11-15)25-18(21)8-9-20-19(22)17-3-2-10-24-17/h2-7,10-12H,8-9H2,1H3,(H,20,22)
InChIKeyNMKKHNJUWGICJV-UHFFFAOYSA-N
XLogP3.17
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(7-methoxynaphthalen-1-yl)ethyl]furan-2-carboxamide
CID 44581533
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 86920882
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate
CID 7909265
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 7629639
(7-methoxynaphthalen-2-yl) 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 36808276
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
3-(furan-2-carbonylamino)propanoic acid
CID 762504
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 110324868
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879930

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate (CID 43030744) is (7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate is COc1ccc2ccc(OC(=O)CCNC(=O)c3ccco3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate?
The InChIKey is NMKKHNJUWGICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-15-6-4-13-5-7-16(12-14(13)11-15)25-18(21)8-9-20-19(22)17-3-2-10-24-17/h2-7,10-12H,8-9H2,1H3,(H,20,22).
What are the key properties of (7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate?
(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate has a molecular weight of 339.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 43030744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).