N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide

C20H28N2O2 — CID 95334427

IUPACN-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(C2(C(=O)N[C@@H]3CCN4CCCC[C@H]34)CC2)ccc1C
InChIInChI=1S/C20H28N2O2/c1-14-6-7-15(13-18(14)24-2)20(9-10-20)19(23)21-16-8-12-22-11-4-3-5-17(16)22/h6-7,13,16-17H,3-5,8-12H2,1-2H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyRPEUANJHNGGIIJ-IAGOWNOFSA-N
MW328.46 g/mol
LogP2.78
Rot. Bonds4

About N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide

N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 95334427) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID95334427
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(C2(C(=O)N[C@@H]3CCN4CCCC[C@H]34)CC2)ccc1C
InChIInChI=1S/C20H28N2O2/c1-14-6-7-15(13-18(14)24-2)20(9-10-20)19(23)21-16-8-12-22-11-4-3-5-17(16)22/h6-7,13,16-17H,3-5,8-12H2,1-2H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyRPEUANJHNGGIIJ-IAGOWNOFSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 94121152
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95283923
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 110438036
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120598802
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120598801
1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 119349942
1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 119125744
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540306
N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95342006
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454

Frequently Asked Questions

What is the IUPAC name of N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide (CID 95334427) is N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide is COc1cc(C2(C(=O)N[C@@H]3CCN4CCCC[C@H]34)CC2)ccc1C.
What is the InChIKey of N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is RPEUANJHNGGIIJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-6-7-15(13-18(14)24-2)20(9-10-20)19(23)21-16-8-12-22-11-4-3-5-17(16)22/h6-7,13,16-17H,3-5,8-12H2,1-2H3,(H,21,23)/t16-,17-/m1/s1.
What are the key properties of N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95334427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).