2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C22H25NO2 — CID 18227470

IUPAC2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Oc2c(C(=O)NCC3(c4ccccc4)CCC3)cccc2C1C
InChIInChI=1S/C22H25NO2/c1-15-16(2)25-20-18(15)10-6-11-19(20)21(24)23-14-22(12-7-13-22)17-8-4-3-5-9-17/h3-6,8-11,15-16H,7,12-14H2,1-2H3,(H,23,24)
InChIKeyQCGZXXINSUBSIC-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.42
Rot. Bonds4

About 2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 18227470) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID18227470
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Oc2c(C(=O)NCC3(c4ccccc4)CCC3)cccc2C1C
InChIInChI=1S/C22H25NO2/c1-15-16(2)25-20-18(15)10-6-11-19(20)21(24)23-14-22(12-7-13-22)17-8-4-3-5-9-17/h3-6,8-11,15-16H,7,12-14H2,1-2H3,(H,23,24)
InChIKeyQCGZXXINSUBSIC-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 114751443
N-(2-hydroxyethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 43393629
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
(2S)-4-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834347
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 45353889
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 142821690
methyl (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905953
2,3-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 24535734
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18143854
2-morpholin-4-yl-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 77085484
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 18227470) is 2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is CC1Oc2c(C(=O)NCC3(c4ccccc4)CCC3)cccc2C1C.
What is the InChIKey of 2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is QCGZXXINSUBSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-15-16(2)25-20-18(15)10-6-11-19(20)21(24)23-14-22(12-7-13-22)17-8-4-3-5-9-17/h3-6,8-11,15-16H,7,12-14H2,1-2H3,(H,23,24).
What are the key properties of 2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 18227470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).