N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide

C21H29NO3 — CID 70742299

IUPACN,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(C)CCCC3CCCO3)c(C)c2c1
InChIInChI=1S/C21H29NO3/c1-4-7-16-10-11-19-18(14-16)15(2)20(25-19)21(23)22(3)12-5-8-17-9-6-13-24-17/h10-11,14,17H,4-9,12-13H2,1-3H3
InChIKeyIMBXDDVSGOPCKH-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.72
Rot. Bonds7

About N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide

N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide (PubChem CID 70742299) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide
PubChem CID70742299
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC NameN,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(C)CCCC3CCCO3)c(C)c2c1
InChIInChI=1S/C21H29NO3/c1-4-7-16-10-11-19-18(14-16)15(2)20(25-19)21(23)22(3)12-5-8-17-9-6-13-24-17/h10-11,14,17H,4-9,12-13H2,1-3H3
InChIKeyIMBXDDVSGOPCKH-UHFFFAOYSA-N
XLogP4.72
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595
N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19120160
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 121495548
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 5240838
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 40776188
N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide
CID 125161756
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
N-[3-(oxolan-2-yl)propyl]-4-propylaniline
CID 65163877
2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
CID 97128255

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide (CID 70742299) is N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)N(C)CCCC3CCCO3)c(C)c2c1.
What is the InChIKey of N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide?
The InChIKey is IMBXDDVSGOPCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-4-7-16-10-11-19-18(14-16)15(2)20(25-19)21(23)22(3)12-5-8-17-9-6-13-24-17/h10-11,14,17H,4-9,12-13H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide?
N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70742299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).