N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide

C22H26N2O3 — CID 126813290

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide
SMILESCc1cc(C(=O)NCC2COc3ccccc32)ccc1NC(=O)CC(C)C
InChIInChI=1S/C22H26N2O3/c1-14(2)10-21(25)24-19-9-8-16(11-15(19)3)22(26)23-12-17-13-27-20-7-5-4-6-18(17)20/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyGSTFVDUILDAQFV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.89
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide (PubChem CID 126813290) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide
PubChem CID126813290
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide
SMILESCc1cc(C(=O)NCC2COc3ccccc32)ccc1NC(=O)CC(C)C
InChIInChI=1S/C22H26N2O3/c1-14(2)10-21(25)24-19-9-8-16(11-15(19)3)22(26)23-12-17-13-27-20-7-5-4-6-18(17)20/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyGSTFVDUILDAQFV-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 111471383
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide
CID 119503824
N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119630091
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 119621175
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide
CID 126855511
N-(3-aminopropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119408504
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119621174
2-[methyl-[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]acetic acid
CID 119172245
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
(2R)-2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 119244295
4-[2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168800

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide (CID 126813290) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide is Cc1cc(C(=O)NCC2COc3ccccc32)ccc1NC(=O)CC(C)C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide?
The InChIKey is GSTFVDUILDAQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14(2)10-21(25)24-19-9-8-16(11-15(19)3)22(26)23-12-17-13-27-20-7-5-4-6-18(17)20/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 126813290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).