2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide

C14H20N2O2 — CID 114332102

IUPAC2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(O)cc2)CCCC1N
InChIInChI=1S/C14H20N2O2/c1-14(8-2-3-12(14)15)13(18)16-9-10-4-6-11(17)7-5-10/h4-7,12,17H,2-3,8-9,15H2,1H3,(H,16,18)
InChIKeyXRDHRTZFTSIAOZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds3

About 2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide

2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 114332102) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
PubChem CID114332102
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(O)cc2)CCCC1N
InChIInChI=1S/C14H20N2O2/c1-14(8-2-3-12(14)15)13(18)16-9-10-4-6-11(17)7-5-10/h4-7,12,17H,2-3,8-9,15H2,1H3,(H,16,18)
InChIKeyXRDHRTZFTSIAOZ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763604
2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 82764201
2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide
CID 82767506
2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82765475
2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 114700240
2-amino-1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 114125275
2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 82768436
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 103292391
2-amino-1-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 82766043
2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide
CID 82767781
2-amino-N-(2,3-dihydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 82768544

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide (CID 114332102) is 2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCc2ccc(O)cc2)CCCC1N.
What is the InChIKey of 2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is XRDHRTZFTSIAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(8-2-3-12(14)15)13(18)16-9-10-4-6-11(17)7-5-10/h4-7,12,17H,2-3,8-9,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide?
2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 114332102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).