3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide

C15H22N2O2 — CID 114946671

IUPAC3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C15H22N2O2/c1-11-12(6-5-7-13(11)16)14(18)17(2)10-15(19)8-3-4-9-15/h5-7,19H,3-4,8-10,16H2,1-2H3
InChIKeyVEEHWJMSIWSNDJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds3

About 3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide

3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide (PubChem CID 114946671) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
PubChem CID114946671
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C15H22N2O2/c1-11-12(6-5-7-13(11)16)14(18)17(2)10-15(19)8-3-4-9-15/h5-7,19H,3-4,8-10,16H2,1-2H3
InChIKeyVEEHWJMSIWSNDJ-UHFFFAOYSA-N
XLogP1.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 114953067
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115760603
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 114946695
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 114951112

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide (CID 114946671) is 3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide is Cc1c(N)cccc1C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is VEEHWJMSIWSNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-12(6-5-7-13(11)16)14(18)17(2)10-15(19)8-3-4-9-15/h5-7,19H,3-4,8-10,16H2,1-2H3.
What are the key properties of 3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 114946671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).