cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide

C16H19NO3 — CID 51671753

IUPACcis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cccc2cc([C@H](C)NC(=O)[C@H]3C[C@H]3C)oc12
InChIInChI=1S/C16H19NO3/c1-9-7-12(9)16(18)17-10(2)14-8-11-5-4-6-13(19-3)15(11)20-14/h4-6,8-10,12H,7H2,1-3H3,(H,17,18)/t9-,10+,12+/m1/s1
InChIKeyHYTLAFNXFBLRKS-SCVCMEIPSA-N
MW273.33 g/mol
LogP3.27
Rot. Bonds4

About cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 51671753) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID51671753
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namecis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cccc2cc([C@H](C)NC(=O)[C@H]3C[C@H]3C)oc12
InChIInChI=1S/C16H19NO3/c1-9-7-12(9)16(18)17-10(2)14-8-11-5-4-6-13(19-3)15(11)20-14/h4-6,8-10,12H,7H2,1-3H3,(H,17,18)/t9-,10+,12+/m1/s1
InChIKeyHYTLAFNXFBLRKS-SCVCMEIPSA-N
XLogP3.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide 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

(4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 97088240
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
CID 55963621
3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine
CID 104584510
1-(5-chloro-2-methoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55589291
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47024453
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
CID 43200727
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
CID 112672661
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 33001757
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 51671753) is cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide is COc1cccc2cc([C@H](C)NC(=O)[C@H]3C[C@H]3C)oc12.
What is the InChIKey of cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is HYTLAFNXFBLRKS-SCVCMEIPSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-7-12(9)16(18)17-10(2)14-8-11-5-4-6-13(19-3)15(11)20-14/h4-6,8-10,12H,7H2,1-3H3,(H,17,18)/t9-,10+,12+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 51671753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).