N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

C30H32N2O3 — CID 10183564

IUPACN-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESO=C1OC2(CCC(C(=O)NC(CNCc3ccccc3)Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C30H32N2O3/c33-28(24-15-17-30(18-16-24)27-14-8-7-13-26(27)29(34)35-30)32-25(19-22-9-3-1-4-10-22)21-31-20-23-11-5-2-6-12-23/h1-14,24-25,31H,15-21H2,(H,32,33)
InChIKeySJKZKECVJOZILV-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.76
Rot. Bonds8

About N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 10183564) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID10183564
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC NameN-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESO=C1OC2(CCC(C(=O)NC(CNCc3ccccc3)Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C30H32N2O3/c33-28(24-15-17-30(18-16-24)27-14-8-7-13-26(27)29(34)35-30)32-25(19-22-9-3-1-4-10-22)21-31-20-23-11-5-2-6-12-23/h1-14,24-25,31H,15-21H2,(H,32,33)
InChIKeySJKZKECVJOZILV-UHFFFAOYSA-N
XLogP4.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 10183564) is N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is O=C1OC2(CCC(C(=O)NC(CNCc3ccccc3)Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is SJKZKECVJOZILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c33-28(24-15-17-30(18-16-24)27-14-8-7-13-26(27)29(34)35-30)32-25(19-22-9-3-1-4-10-22)21-31-20-23-11-5-2-6-12-23/h1-14,24-25,31H,15-21H2,(H,32,33).
What are the key properties of N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-3-phenylpropan-2-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 10183564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).