2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide

C14H20N2O2 — CID 65106081

IUPAC2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-4-5-12(15)11(8-10)13(17)16-9-14(18)6-2-3-7-14/h4-5,8,18H,2-3,6-7,9,15H2,1H3,(H,16,17)
InChIKeyJUZMTDGJWVEPLC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds3

About 2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide

2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide (PubChem CID 65106081) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
PubChem CID65106081
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-4-5-12(15)11(8-10)13(17)16-9-14(18)6-2-3-7-14/h4-5,8,18H,2-3,6-7,9,15H2,1H3,(H,16,17)
InChIKeyJUZMTDGJWVEPLC-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
2-amino-5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117687
2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107075481
5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide
CID 71989711
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylbenzamide
CID 111782022

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide (CID 65106081) is 2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide is Cc1ccc(N)c(C(=O)NCC2(O)CCCC2)c1.
What is the InChIKey of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide?
The InChIKey is JUZMTDGJWVEPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-5-12(15)11(8-10)13(17)16-9-14(18)6-2-3-7-14/h4-5,8,18H,2-3,6-7,9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide?
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.61, 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-hydroxycyclopentyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 65106081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).