methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate

C17H17NO5 — CID 169471548

IUPACmethyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C=CCNC(=O)OCc2ccccc2)o1
InChIInChI=1S/C17H17NO5/c1-21-16(19)15-10-9-14(23-15)8-5-11-18-17(20)22-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyUFDFGEASQFRQCT-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.01
Rot. Bonds6

About methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate

methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate (PubChem CID 169471548) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate
PubChem CID169471548
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C=CCNC(=O)OCc2ccccc2)o1
InChIInChI=1S/C17H17NO5/c1-21-16(19)15-10-9-14(23-15)8-5-11-18-17(20)22-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyUFDFGEASQFRQCT-UHFFFAOYSA-N
XLogP3.01
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate
CID 169472193
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
methyl 5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]furan-2-carboxylate
CID 171855884
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[(E)-4-methylpent-2-enyl]carbamate
CID 101141874
benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate
CID 169471276
benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169471931
benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate
CID 169471837

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate (CID 169471548) is methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate is COC(=O)c1ccc(C=CCNC(=O)OCc2ccccc2)o1.
What is the InChIKey of methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate?
The InChIKey is UFDFGEASQFRQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-16(19)15-10-9-14(23-15)8-5-11-18-17(20)22-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate?
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate is sourced from PubChem (CID 169471548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).