trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide

C18H26N2O3 — CID 125146337

IUPACtrans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CCC[C@H]2N)c(O[C@H]2CCOC2)c1
InChIInChI=1S/C18H26N2O3/c1-12-5-6-13(17(9-12)23-14-7-8-22-11-14)10-20-18(21)15-3-2-4-16(15)19/h5-6,9,14-16H,2-4,7-8,10-11,19H2,1H3,(H,20,21)/t14-,15+,16+/m0/s1
InChIKeyIITKWBVZLOOGHS-ARFHVFGLSA-N
MW318.42 g/mol
LogP1.91
Rot. Bonds5

About trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide

trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 125146337) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
PubChem CID125146337
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametrans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CCC[C@H]2N)c(O[C@H]2CCOC2)c1
InChIInChI=1S/C18H26N2O3/c1-12-5-6-13(17(9-12)23-14-7-8-22-11-14)10-20-18(21)15-3-2-4-16(15)19/h5-6,9,14-16H,2-4,7-8,10-11,19H2,1H3,(H,20,21)/t14-,15+,16+/m0/s1
InChIKeyIITKWBVZLOOGHS-ARFHVFGLSA-N
XLogP1.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-2-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697565
cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697586
N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide
CID 166406216
2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride
CID 119812658
2-amino-3-methoxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 120992488
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
CID 119340205
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride
CID 119340201
3-[2-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]-2-oxoethyl]benzoic acid
CID 120551363
4-cyano-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-1H-pyrrole-2-carboxamide
CID 97224334
(3aS,6aR)-2-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122006370
1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 154849931
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016193

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide (CID 125146337) is trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide is Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]2N)c(O[C@H]2CCOC2)c1.
What is the InChIKey of trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is IITKWBVZLOOGHS-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-5-6-13(17(9-12)23-14-7-8-22-11-14)10-20-18(21)15-3-2-4-16(15)19/h5-6,9,14-16H,2-4,7-8,10-11,19H2,1H3,(H,20,21)/t14-,15+,16+/m0/s1.
What are the key properties of trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 125146337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).