trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide

C16H24N2O2 — CID 97123271

IUPACtrans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
SMILESCN(CCCOc1ccccc1)C(=O)[C@@H]1CC[C@@H](N)C1
InChIInChI=1S/C16H24N2O2/c1-18(16(19)13-8-9-14(17)12-13)10-5-11-20-15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12,17H2,1H3/t13-,14-/m1/s1
InChIKeyYYSUJNUAKXDXNT-ZIAGYGMSSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds6

About trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide

trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide (PubChem CID 97123271) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
PubChem CID97123271
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametrans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
SMILESCN(CCCOc1ccccc1)C(=O)[C@@H]1CC[C@@H](N)C1
InChIInChI=1S/C16H24N2O2/c1-18(16(19)13-8-9-14(17)12-13)10-5-11-20-15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12,17H2,1H3/t13-,14-/m1/s1
InChIKeyYYSUJNUAKXDXNT-ZIAGYGMSSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119753734
cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
CID 91777791
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 97123264
3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide
CID 119820809
2-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 64824766
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119753738
4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 66009609
(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 94168581

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide (CID 97123271) is trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide is CN(CCCOc1ccccc1)C(=O)[C@@H]1CC[C@@H](N)C1.
What is the InChIKey of trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide?
The InChIKey is YYSUJNUAKXDXNT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(16(19)13-8-9-14(17)12-13)10-5-11-20-15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12,17H2,1H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide?
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 97123271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).