2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide

C14H20N2O2 — CID 64823129

IUPAC2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1N)c1cccc(O)c1
InChIInChI=1S/C14H20N2O2/c1-9(10-4-2-5-11(17)8-10)16-14(18)12-6-3-7-13(12)15/h2,4-5,8-9,12-13,17H,3,6-7,15H2,1H3,(H,16,18)
InChIKeyRGUIRXSJNFTYKI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds3

About 2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide

2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 64823129) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID64823129
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1N)c1cccc(O)c1
InChIInChI=1S/C14H20N2O2/c1-9(10-4-2-5-11(17)8-10)16-14(18)12-6-3-7-13(12)15/h2,4-5,8-9,12-13,17H,3,6-7,15H2,1H3,(H,16,18)
InChIKeyRGUIRXSJNFTYKI-UHFFFAOYSA-N
XLogP1.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81366049
2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376546
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[1-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823175
2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81360813
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81365382
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cycloheptane-1-carboxamide
CID 81366921
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-amino-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 64824650
2-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81355221
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide
CID 64824329
2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 64822344

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide (CID 64823129) is 2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide is CC(NC(=O)C1CCCC1N)c1cccc(O)c1.
What is the InChIKey of 2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is RGUIRXSJNFTYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(10-4-2-5-11(17)8-10)16-14(18)12-6-3-7-13(12)15/h2,4-5,8-9,12-13,17H,3,6-7,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide?
2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 64823129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).