N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide

C15H21NO4 — CID 103280095

IUPACN-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCC(O)C2)cc1OC
InChIInChI=1S/C15H21NO4/c1-19-13-6-4-11(8-14(13)20-2)15(18)16-9-10-3-5-12(17)7-10/h4,6,8,10,12,17H,3,5,7,9H2,1-2H3,(H,16,18)
InChIKeyNGFCXKPTZFCPBQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.59
Rot. Bonds5

About N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide

N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide (PubChem CID 103280095) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
PubChem CID103280095
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCC(O)C2)cc1OC
InChIInChI=1S/C15H21NO4/c1-19-13-6-4-11(8-14(13)20-2)15(18)16-9-10-3-5-12(17)7-10/h4,6,8,10,12,17H,3,5,7,9H2,1-2H3,(H,16,18)
InChIKeyNGFCXKPTZFCPBQ-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

3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide (CID 103280095) is N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2CCC(O)C2)cc1OC.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide?
The InChIKey is NGFCXKPTZFCPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-13-6-4-11(8-14(13)20-2)15(18)16-9-10-3-5-12(17)7-10/h4,6,8,10,12,17H,3,5,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide?
N-[(3-hydroxycyclopentyl)methyl]-3,4-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]-3,4-dimethoxybenzamide is sourced from PubChem (CID 103280095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).