N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide

C20H21NO3 — CID 99872827

IUPACN-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C20H21NO3/c22-13-11-16(15-6-2-1-3-7-15)10-12-21-20(23)19-14-17-8-4-5-9-18(17)24-19/h1-9,14,16,22H,10-13H2,(H,21,23)/t16-/m0/s1
InChIKeyYTYHJGRRDPFZMZ-INIZCTEOSA-N
MW323.39 g/mol
LogP3.72
Rot. Bonds7

About N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide

N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide (PubChem CID 99872827) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide
PubChem CID99872827
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C20H21NO3/c22-13-11-16(15-6-2-1-3-7-15)10-12-21-20(23)19-14-17-8-4-5-9-18(17)24-19/h1-9,14,16,22H,10-13H2,(H,21,23)/t16-/m0/s1
InChIKeyYTYHJGRRDPFZMZ-INIZCTEOSA-N
XLogP3.72
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872845
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide (CID 99872827) is N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide is O=C(NCC[C@@H](CCO)c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide?
The InChIKey is YTYHJGRRDPFZMZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21NO3/c22-13-11-16(15-6-2-1-3-7-15)10-12-21-20(23)19-14-17-8-4-5-9-18(17)24-19/h1-9,14,16,22H,10-13H2,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide?
N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 99872827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).