N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

C21H28N2O5 — CID 157015496

IUPACN-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H]3C[C@H](C(=O)N4CCOCC4)C[C@H]3O)CC2)cc1
InChIInChI=1S/C21H28N2O5/c1-27-16-4-2-15(3-5-16)21(6-7-21)20(26)22-17-12-14(13-18(17)24)19(25)23-8-10-28-11-9-23/h2-5,14,17-18,24H,6-13H2,1H3,(H,22,26)/t14-,17+,18+/m0/s1
InChIKeyHAUSOLKGMCLAFM-BMGDILEWSA-N
MW388.46 g/mol
LogP0.84
Rot. Bonds5

About N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 157015496) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID157015496
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H]3C[C@H](C(=O)N4CCOCC4)C[C@H]3O)CC2)cc1
InChIInChI=1S/C21H28N2O5/c1-27-16-4-2-15(3-5-16)21(6-7-21)20(26)22-17-12-14(13-18(17)24)19(25)23-8-10-28-11-9-23/h2-5,14,17-18,24H,6-13H2,1H3,(H,22,26)/t14-,17+,18+/m0/s1
InChIKeyHAUSOLKGMCLAFM-BMGDILEWSA-N
XLogP0.84
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate
CID 163304648
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
CID 92613871
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 91781820
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488
N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133128043
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 110856431
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 157015496) is N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)N[C@@H]3C[C@H](C(=O)N4CCOCC4)C[C@H]3O)CC2)cc1.
What is the InChIKey of N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is HAUSOLKGMCLAFM-BMGDILEWSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-27-16-4-2-15(3-5-16)21(6-7-21)20(26)22-17-12-14(13-18(17)24)19(25)23-8-10-28-11-9-23/h2-5,14,17-18,24H,6-13H2,1H3,(H,22,26)/t14-,17+,18+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157015496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).