(1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride

C17H27ClN2O4 — CID 155937908

IUPAC(1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1OCCCN(C)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-19(17(21)12-10-13(18)14(20)11-12)8-5-9-23-16-7-4-3-6-15(16)22-2;/h3-4,6-7,12-14,20H,5,8-11,18H2,1-2H3;1H/t12-,13-,14-;/m0./s1
InChIKeyFABBRPRNKGFPRD-JKBZPBJLSA-N
MW358.87 g/mol
LogP1.44
Rot. Bonds7

About (1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride

(1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 155937908) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
PubChem CID155937908
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC Name(1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1OCCCN(C)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-19(17(21)12-10-13(18)14(20)11-12)8-5-9-23-16-7-4-3-6-15(16)22-2;/h3-4,6-7,12-14,20H,5,8-11,18H2,1-2H3;1H/t12-,13-,14-;/m0./s1
InChIKeyFABBRPRNKGFPRD-JKBZPBJLSA-N
XLogP1.44
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 155940113
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975195
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 119294067
(1S,3S,4S)-4-amino-N-[3-(2-chlorophenoxy)propyl]-N-methyl-3-propoxycyclohexane-1-carboxamide
CID 154818980
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119695438
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
CID 91777791
(1S,3R,4R)-3-amino-N-[2-(2,4-dimethylphenoxy)ethyl]-4-hydroxy-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 155940397
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
CID 128980206

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride (CID 155937908) is (1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride is COc1ccccc1OCCCN(C)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1.Cl.
What is the InChIKey of (1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FABBRPRNKGFPRD-JKBZPBJLSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-19(17(21)12-10-13(18)14(20)11-12)8-5-9-23-16-7-4-3-6-15(16)22-2;/h3-4,6-7,12-14,20H,5,8-11,18H2,1-2H3;1H/t12-,13-,14-;/m0./s1.
What are the key properties of (1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
(1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155937908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).