N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide

C14H17NO2 — CID 99646762

IUPACN-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C14H17NO2/c1-4-10(3)15-14(16)12-8-11-7-5-6-9(2)13(11)17-12/h5-8,10H,4H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyHMAPHNLZPCDTCQ-SNVBAGLBSA-N
MW231.30 g/mol
LogP3.27
Rot. Bonds3

About N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide

N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide (PubChem CID 99646762) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
PubChem CID99646762
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C14H17NO2/c1-4-10(3)15-14(16)12-8-11-7-5-6-9(2)13(11)17-12/h5-8,10H,4H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyHMAPHNLZPCDTCQ-SNVBAGLBSA-N
XLogP3.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-2-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119194155
N-[(2S)-butan-2-yl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794085
N-butan-2-yl-8-methyl-2-oxochromene-3-carboxamide
CID 133155176
2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 71915499
N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
CID 100795374
N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
CID 48980635
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide
CID 2986419
N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 100795319

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide (CID 99646762) is N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide is CC[C@@H](C)NC(=O)c1cc2cccc(C)c2o1.
What is the InChIKey of N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide?
The InChIKey is HMAPHNLZPCDTCQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-10(3)15-14(16)12-8-11-7-5-6-9(2)13(11)17-12/h5-8,10H,4H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide?
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 99646762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).