N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide

C16H24N2O2 — CID 141311603

IUPACN-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide
SMILESCC(C)CNC(=O)c1cccc(OCC2CCCN2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-18-16(19)13-5-3-7-15(9-13)20-11-14-6-4-8-17-14/h3,5,7,9,12,14,17H,4,6,8,10-11H2,1-2H3,(H,18,19)
InChIKeySXGPCTIAMUVLNZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.20
Rot. Bonds6

About N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide

N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide (PubChem CID 141311603) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide
PubChem CID141311603
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide
SMILESCC(C)CNC(=O)c1cccc(OCC2CCCN2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-18-16(19)13-5-3-7-15(9-13)20-11-14-6-4-8-17-14/h3,5,7,9,12,14,17H,4,6,8,10-11H2,1-2H3,(H,18,19)
InChIKeySXGPCTIAMUVLNZ-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793671
N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 121367800
3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide (CID 141311603) is N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide is CC(C)CNC(=O)c1cccc(OCC2CCCN2)c1.
What is the InChIKey of N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide?
The InChIKey is SXGPCTIAMUVLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)10-18-16(19)13-5-3-7-15(9-13)20-11-14-6-4-8-17-14/h3,5,7,9,12,14,17H,4,6,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide?
N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide is sourced from PubChem (CID 141311603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).