cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide

C17H26N2O2 — CID 97123264

IUPACcis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)[C@H]2CC[C@@H](N)C2)c1
InChIInChI=1S/C17H26N2O2/c1-12-8-13(2)10-16(9-12)21-7-6-19(3)17(20)14-4-5-15(18)11-14/h8-10,14-15H,4-7,11,18H2,1-3H3/t14-,15+/m0/s1
InChIKeyXAIMESLTZJNSRW-LSDHHAIUSA-N
MW290.41 g/mol
LogP2.27
Rot. Bonds5

About cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide

cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 97123264) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID97123264
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namecis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)[C@H]2CC[C@@H](N)C2)c1
InChIInChI=1S/C17H26N2O2/c1-12-8-13(2)10-16(9-12)21-7-6-19(3)17(20)14-4-5-15(18)11-14/h8-10,14-15H,4-7,11,18H2,1-3H3/t14-,15+/m0/s1
InChIKeyXAIMESLTZJNSRW-LSDHHAIUSA-N
XLogP2.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81126354
3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide
CID 119820809
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119753734
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 66009609
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60938220
(1S,3R,4R)-3-amino-N-[2-(2,4-dimethylphenoxy)ethyl]-4-hydroxy-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 155940397
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide (CID 97123264) is cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)[C@H]2CC[C@@H](N)C2)c1.
What is the InChIKey of cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is XAIMESLTZJNSRW-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-8-13(2)10-16(9-12)21-7-6-19(3)17(20)14-4-5-15(18)11-14/h8-10,14-15H,4-7,11,18H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 97123264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).