N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide

C14H20N2O2 — CID 114760620

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCNC2)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-12(11(2)7-10)13(17)16-9-14(18)5-6-15-8-14/h3-4,7,15,18H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyUPLXKMBBBQTWRN-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.76
Rot. Bonds3

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide (PubChem CID 114760620) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
PubChem CID114760620
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCNC2)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-12(11(2)7-10)13(17)16-9-14(18)5-6-15-8-14/h3-4,7,15,18H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyUPLXKMBBBQTWRN-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 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 ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide
CID 114189599
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 154901624
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
4-[[(2,4-dimethylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438197

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide (CID 114760620) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCC2(O)CCNC2)c(C)c1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide?
The InChIKey is UPLXKMBBBQTWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-4-12(11(2)7-10)13(17)16-9-14(18)5-6-15-8-14/h3-4,7,15,18H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 114760620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).