N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

C14H20N2O2 — CID 106609417

IUPACN-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C14H20N2O2/c1-2-16(10-12-4-3-9-15-12)14(18)11-5-7-13(17)8-6-11/h5-8,12,15,17H,2-4,9-10H2,1H3
InChIKeyKQQJKVGCASPNHQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds4

About N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106609417) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106609417
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C14H20N2O2/c1-2-16(10-12-4-3-9-15-12)14(18)11-5-7-13(17)8-6-11/h5-8,12,15,17H,2-4,9-10H2,1H3
InChIKeyKQQJKVGCASPNHQ-UHFFFAOYSA-N
XLogP1.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609044
N-(cyclopropylmethyl)-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608699
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106609254
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
CID 106626088
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884
3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106609503
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106609417) is N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is CCN(CC1CCCN1)C(=O)c1ccc(O)cc1.
What is the InChIKey of N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is KQQJKVGCASPNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-16(10-12-4-3-9-15-12)14(18)11-5-7-13(17)8-6-11/h5-8,12,15,17H,2-4,9-10H2,1H3.
What are the key properties of N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106609417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).