N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

C16H24N2O2 — CID 106612351

IUPACN-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccccc1O
InChIInChI=1S/C16H24N2O2/c1-2-3-11-18(12-13-7-6-10-17-13)16(20)14-8-4-5-9-15(14)19/h4-5,8-9,13,17,19H,2-3,6-7,10-12H2,1H3
InChIKeyVAFVOJRSPFGFIE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.39
Rot. Bonds6

About N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106612351) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106612351
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccccc1O
InChIInChI=1S/C16H24N2O2/c1-2-3-11-18(12-13-7-6-10-17-13)16(20)14-8-4-5-9-15(14)19/h4-5,8-9,13,17,19H,2-3,6-7,10-12H2,1H3
InChIKeyVAFVOJRSPFGFIE-UHFFFAOYSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612084
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612263
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612016

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106612351) is N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCN(CC1CCCN1)C(=O)c1ccccc1O.
What is the InChIKey of N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is VAFVOJRSPFGFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-11-18(12-13-7-6-10-17-13)16(20)14-8-4-5-9-15(14)19/h4-5,8-9,13,17,19H,2-3,6-7,10-12H2,1H3.
What are the key properties of N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106612351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).