N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide

C18H25NO3 — CID 111662426

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC(CCO)CC(C)C)cc2c1
InChIInChI=1S/C18H25NO3/c1-12(2)8-14(6-7-20)11-19-18(21)17-10-15-9-13(3)4-5-16(15)22-17/h4-5,9-10,12,14,20H,6-8,11H2,1-3H3,(H,19,21)
InChIKeyBDSWMSLZZGTFCX-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.52
Rot. Bonds7

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 111662426) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID111662426
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC(CCO)CC(C)C)cc2c1
InChIInChI=1S/C18H25NO3/c1-12(2)8-14(6-7-20)11-19-18(21)17-10-15-9-13(3)4-5-16(15)22-17/h4-5,9-10,12,14,20H,6-8,11H2,1-3H3,(H,19,21)
InChIKeyBDSWMSLZZGTFCX-UHFFFAOYSA-N
XLogP3.52
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
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-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 119817771
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide (CID 111662426) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCC(CCO)CC(C)C)cc2c1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BDSWMSLZZGTFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(2)8-14(6-7-20)11-19-18(21)17-10-15-9-13(3)4-5-16(15)22-17/h4-5,9-10,12,14,20H,6-8,11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111662426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).