N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide

C17H26N2O2 — CID 119603780

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC2CCCC2CN)c1
InChIInChI=1S/C17H26N2O2/c1-12-8-13(2)10-15(9-12)21-7-6-17(20)19-16-5-3-4-14(16)11-18/h8-10,14,16H,3-7,11,18H2,1-2H3,(H,19,20)
InChIKeyROTUEEZRQKQJDA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide

N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide (PubChem CID 119603780) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide
PubChem CID119603780
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC2CCCC2CN)c1
InChIInChI=1S/C17H26N2O2/c1-12-8-13(2)10-15(9-12)21-7-6-17(20)19-16-5-3-4-14(16)11-18/h8-10,14,16H,3-7,11,18H2,1-2H3,(H,19,20)
InChIKeyROTUEEZRQKQJDA-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
CID 119603633
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119601445
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
CID 119601417
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140
N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
CID 119609351
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide (CID 119603780) is N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OCCC(=O)NC2CCCC2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide?
The InChIKey is ROTUEEZRQKQJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-8-13(2)10-15(9-12)21-7-6-17(20)19-16-5-3-4-14(16)11-18/h8-10,14,16H,3-7,11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide?
N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 119603780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).