cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide

C20H30N2O3 — CID 124686138

IUPACcis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C)cc1C1(CNC(=O)[C@@H]2CCC[C@@H]2N)CCOCC1
InChIInChI=1S/C20H30N2O3/c1-14-6-7-18(24-2)16(12-14)20(8-10-25-11-9-20)13-22-19(23)15-4-3-5-17(15)21/h6-7,12,15,17H,3-5,8-11,13,21H2,1-2H3,(H,22,23)/t15-,17+/m1/s1
InChIKeyKZZHKVOEDWATTI-WBVHZDCISA-N
MW346.47 g/mol
LogP2.30
Rot. Bonds5

About cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide

cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 124686138) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
PubChem CID124686138
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namecis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C)cc1C1(CNC(=O)[C@@H]2CCC[C@@H]2N)CCOCC1
InChIInChI=1S/C20H30N2O3/c1-14-6-7-18(24-2)16(12-14)20(8-10-25-11-9-20)13-22-19(23)15-4-3-5-17(15)21/h6-7,12,15,17H,3-5,8-11,13,21H2,1-2H3,(H,22,23)/t15-,17+/m1/s1
InChIKeyKZZHKVOEDWATTI-WBVHZDCISA-N
XLogP2.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687337
trans-(1R,3R)-3-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687322
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442975
cis-(1S,3R)-3-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687340
3-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 86783814
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide
CID 56581644
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740061
N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 56581671
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
1-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2-methyl-3-prop-2-enylguanidine
CID 110980042
cis-(1R,2S)-2-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697565

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide (CID 124686138) is cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide is COc1ccc(C)cc1C1(CNC(=O)[C@@H]2CCC[C@@H]2N)CCOCC1.
What is the InChIKey of cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is KZZHKVOEDWATTI-WBVHZDCISA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14-6-7-18(24-2)16(12-14)20(8-10-25-11-9-20)13-22-19(23)15-4-3-5-17(15)21/h6-7,12,15,17H,3-5,8-11,13,21H2,1-2H3,(H,22,23)/t15-,17+/m1/s1.
What are the key properties of cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide?
cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124686138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).