N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide

C23H28N2O3 — CID 60560650

IUPACN-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C23H28N2O3/c26-23(19-7-3-6-18(14-19)16-25-11-1-2-12-25)24-20-8-4-9-21(15-20)28-17-22-10-5-13-27-22/h3-4,6-9,14-15,22H,1-2,5,10-13,16-17H2,(H,24,26)
InChIKeyBGLZTLJHMRENBA-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.09
Rot. Bonds7

About N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide

N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 60560650) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID60560650
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C23H28N2O3/c26-23(19-7-3-6-18(14-19)16-25-11-1-2-12-25)24-20-8-4-9-21(15-20)28-17-22-10-5-13-27-22/h3-4,6-9,14-15,22H,1-2,5,10-13,16-17H2,(H,24,26)
InChIKeyBGLZTLJHMRENBA-UHFFFAOYSA-N
XLogP4.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46524153
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 30831505
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide (CID 60560650) is N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide is O=C(Nc1cccc(OCC2CCCO2)c1)c1cccc(CN2CCCC2)c1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is BGLZTLJHMRENBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-23(19-7-3-6-18(14-19)16-25-11-1-2-12-25)24-20-8-4-9-21(15-20)28-17-22-10-5-13-27-22/h3-4,6-9,14-15,22H,1-2,5,10-13,16-17H2,(H,24,26).
What are the key properties of N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 60560650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).