N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide

C31H36N2O2 — CID 71102576

IUPACN-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(CCCN(Cc1ccccc1)c1ccc2occc2c1)Cc1ccccc1
InChIInChI=1S/C31H36N2O2/c1-31(2,3)22-30(34)33(24-26-13-8-5-9-14-26)19-10-18-32(23-25-11-6-4-7-12-25)28-15-16-29-27(21-28)17-20-35-29/h4-9,11-17,20-21H,10,18-19,22-24H2,1-3H3
InChIKeyVFGGVZNSDHFEAU-UHFFFAOYSA-N
MW468.64 g/mol
LogP7.29
Rot. Bonds10

About N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide

N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide (PubChem CID 71102576) has the molecular formula C31H36N2O2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide
PubChem CID71102576
Molecular FormulaC31H36N2O2
Molecular Weight468.64 g/mol
Exact Mass468.28
IUPAC NameN-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(CCCN(Cc1ccccc1)c1ccc2occc2c1)Cc1ccccc1
InChIInChI=1S/C31H36N2O2/c1-31(2,3)22-30(34)33(24-26-13-8-5-9-14-26)19-10-18-32(23-25-11-6-4-7-12-25)28-15-16-29-27(21-28)17-20-35-29/h4-9,11-17,20-21H,10,18-19,22-24H2,1-3H3
InChIKeyVFGGVZNSDHFEAU-UHFFFAOYSA-N
XLogP7.29
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 3547024
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3,3-dimethylbutanamide
CID 42763070
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297707
N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
CID 70506294
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
3-(N-benzylanilino)-N,N-diethylpropanamide
CID 109030661
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate
CID 159717934
N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide
CID 44605919
N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
CID 102119023

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide?
The IUPAC name of N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide (CID 71102576) is N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N(CCCN(Cc1ccccc1)c1ccc2occc2c1)Cc1ccccc1.
What is the InChIKey of N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide?
The InChIKey is VFGGVZNSDHFEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O2/c1-31(2,3)22-30(34)33(24-26-13-8-5-9-14-26)19-10-18-32(23-25-11-6-4-7-12-25)28-15-16-29-27(21-28)17-20-35-29/h4-9,11-17,20-21H,10,18-19,22-24H2,1-3H3.
What are the key properties of N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide?
N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide has a molecular weight of 468.64 g/mol, XLogP of 7.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-benzofuran-5-yl(benzyl)amino]propyl]-N-benzyl-3,3-dimethylbutanamide is sourced from PubChem (CID 71102576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).