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

C18H26N2O3 — CID 124697586

IUPACcis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CC[C@H](N)C2)c(O[C@@H]2CCOC2)c1
InChIInChI=1S/C18H26N2O3/c1-12-2-3-14(17(8-12)23-16-6-7-22-11-16)10-20-18(21)13-4-5-15(19)9-13/h2-3,8,13,15-16H,4-7,9-11,19H2,1H3,(H,20,21)/t13-,15+,16-/m1/s1
InChIKeyQXRNJAPAQJLFNL-VNQPRFMTSA-N
MW318.42 g/mol
LogP1.91
Rot. Bonds5

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

cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 124697586) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
PubChem CID124697586
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namecis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CC[C@H](N)C2)c(O[C@@H]2CCOC2)c1
InChIInChI=1S/C18H26N2O3/c1-12-2-3-14(17(8-12)23-16-6-7-22-11-16)10-20-18(21)13-4-5-15(19)9-13/h2-3,8,13,15-16H,4-7,9-11,19H2,1H3,(H,20,21)/t13-,15+,16-/m1/s1
InChIKeyQXRNJAPAQJLFNL-VNQPRFMTSA-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 cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-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

cis-(1R,2S)-2-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697565
trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 125146337
3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811561
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
3-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811167
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
CID 119340205
3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808680
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
3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119796168

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide (CID 124697586) is cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide is Cc1ccc(CNC(=O)[C@@H]2CC[C@H](N)C2)c(O[C@@H]2CCOC2)c1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is QXRNJAPAQJLFNL-VNQPRFMTSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-2-3-14(17(8-12)23-16-6-7-22-11-16)10-20-18(21)13-4-5-15(19)9-13/h2-3,8,13,15-16H,4-7,9-11,19H2,1H3,(H,20,21)/t13-,15+,16-/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-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 cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124697586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).