N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide

C20H21NO2 — CID 788573

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCC[C@H](C)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C20H21NO2/c1-4-13(2)15-9-11-16(12-10-15)21-20(22)19-14(3)17-7-5-6-8-18(17)23-19/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyMYKAABVBHNHLQD-ZDUSSCGKSA-N
MW307.39 g/mol
LogP5.51
Rot. Bonds4

About N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide

N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 788573) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID788573
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCC[C@H](C)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C20H21NO2/c1-4-13(2)15-9-11-16(12-10-15)21-20(22)19-14(3)17-7-5-6-8-18(17)23-19/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyMYKAABVBHNHLQD-ZDUSSCGKSA-N
XLogP5.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-butan-2-ylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 3608842
N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108805400
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7944836
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-1-benzofuran-2-carboxamide
CID 9464531
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17108370

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 788573) is N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide is CC[C@H](C)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MYKAABVBHNHLQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-13(2)15-9-11-16(12-10-15)21-20(22)19-14(3)17-7-5-6-8-18(17)23-19/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 788573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).