N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide

C14H20N2O4 — CID 120946857

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CNCC2O)c1
InChIInChI=1S/C14H20N2O4/c1-19-11-3-9(4-12(5-11)20-2)14(18)16-7-10-6-15-8-13(10)17/h3-5,10,13,15,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyALKQQFKYJGAENE-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.01
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide (PubChem CID 120946857) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
PubChem CID120946857
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CNCC2O)c1
InChIInChI=1S/C14H20N2O4/c1-19-11-3-9(4-12(5-11)20-2)14(18)16-7-10-6-15-8-13(10)17/h3-5,10,13,15,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyALKQQFKYJGAENE-UHFFFAOYSA-N
XLogP0.01
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 120946250
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945188
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
CID 114317235
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108767495
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
CID 120946976
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
CID 120945470
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 120943236
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride
CID 120945808

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide (CID 120946857) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC2CNCC2O)c1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is ALKQQFKYJGAENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-11-3-9(4-12(5-11)20-2)14(18)16-7-10-6-15-8-13(10)17/h3-5,10,13,15,17H,6-8H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 280.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 120946857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).