N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide

C15H21NO4 — CID 103280759

IUPACN-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1CCC(O)C1
InChIInChI=1S/C15H21NO4/c1-19-12-4-3-5-13(20-2)14(12)15(18)16-9-10-6-7-11(17)8-10/h3-5,10-11,17H,6-9H2,1-2H3,(H,16,18)
InChIKeyUHNFNMLZUHOGJJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.59
Rot. Bonds5

About N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide

N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide (PubChem CID 103280759) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
PubChem CID103280759
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1CCC(O)C1
InChIInChI=1S/C15H21NO4/c1-19-12-4-3-5-13(20-2)14(12)15(18)16-9-10-6-7-11(17)8-10/h3-5,10-11,17H,6-9H2,1-2H3,(H,16,18)
InChIKeyUHNFNMLZUHOGJJ-UHFFFAOYSA-N
XLogP1.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
CID 66004920
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
2-(difluoromethoxy)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280038
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129789
methyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103279767
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide (CID 103280759) is N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide?
The InChIKey is UHNFNMLZUHOGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-12-4-3-5-13(20-2)14(12)15(18)16-9-10-6-7-11(17)8-10/h3-5,10-11,17H,6-9H2,1-2H3,(H,16,18).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide?
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 103280759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).