N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide

C16H21NO3 — CID 103771495

IUPACN-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC(O)CC(C)C)cc2c1
InChIInChI=1S/C16H21NO3/c1-10(2)6-13(18)9-17-16(19)15-8-12-7-11(3)4-5-14(12)20-15/h4-5,7-8,10,13,18H,6,9H2,1-3H3,(H,17,19)
InChIKeyDLKZJWZGXLEFKL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.88
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide

N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 103771495) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID103771495
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC(O)CC(C)C)cc2c1
InChIInChI=1S/C16H21NO3/c1-10(2)6-13(18)9-17-16(19)15-8-12-7-11(3)4-5-14(12)20-15/h4-5,7-8,10,13,18H,6,9H2,1-3H3,(H,17,19)
InChIKeyDLKZJWZGXLEFKL-UHFFFAOYSA-N
XLogP2.88
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
CID 111662426
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 65219540
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 49089493
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
CID 111447978

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide (CID 103771495) is N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCC(O)CC(C)C)cc2c1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is DLKZJWZGXLEFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10(2)6-13(18)9-17-16(19)15-8-12-7-11(3)4-5-14(12)20-15/h4-5,7-8,10,13,18H,6,9H2,1-3H3,(H,17,19).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide?
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103771495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).