4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide

C20H22N2O2 — CID 120559534

IUPAC4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
SMILESCC(N)CCC(=O)NC(c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C20H22N2O2/c1-14(21)11-12-19(23)22-20(15-7-3-2-4-8-15)18-13-16-9-5-6-10-17(16)24-18/h2-10,13-14,20H,11-12,21H2,1H3,(H,22,23)
InChIKeyBVSHFQPYCLXJMK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.77
Rot. Bonds6

About 4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide

4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide (PubChem CID 120559534) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
PubChem CID120559534
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
SMILESCC(N)CCC(=O)NC(c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C20H22N2O2/c1-14(21)11-12-19(23)22-20(15-7-3-2-4-8-15)18-13-16-9-5-6-10-17(16)24-18/h2-10,13-14,20H,11-12,21H2,1H3,(H,22,23)
InChIKeyBVSHFQPYCLXJMK-UHFFFAOYSA-N
XLogP3.77
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide
CID 51644623
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 51727752
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide
CID 26132466
N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 24556797
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135901571
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]cyclobutanecarboxamide
CID 40789963
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 97014856
(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 97023553

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide (CID 120559534) is 4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide is CC(N)CCC(=O)NC(c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide?
The InChIKey is BVSHFQPYCLXJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(21)11-12-19(23)22-20(15-7-3-2-4-8-15)18-13-16-9-5-6-10-17(16)24-18/h2-10,13-14,20H,11-12,21H2,1H3,(H,22,23).
What are the key properties of 4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide?
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide has a molecular weight of 322.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide is sourced from PubChem (CID 120559534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).