N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide

C29H28N4O3 — CID 42482651

IUPACN-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide
SMILESO=C(Cn1cc(NC(=O)CCC(=O)c2ccccc2)cn1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28N4O3/c34-27(24-14-8-3-9-15-24)16-17-28(35)32-25-18-31-33(20-25)21-29(36)30-19-26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,18,20,26H,16-17,19,21H2,(H,30,36)(H,32,35)
InChIKeyODTDZMNBHVITLN-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.43
Rot. Bonds11

About N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide

N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide (PubChem CID 42482651) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide
PubChem CID42482651
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC NameN-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide
SMILESO=C(Cn1cc(NC(=O)CCC(=O)c2ccccc2)cn1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28N4O3/c34-27(24-14-8-3-9-15-24)16-17-28(35)32-25-18-31-33(20-25)21-29(36)30-19-26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,18,20,26H,16-17,19,21H2,(H,30,36)(H,32,35)
InChIKeyODTDZMNBHVITLN-UHFFFAOYSA-N
XLogP4.43
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide (CID 42482651) is N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide is O=C(Cn1cc(NC(=O)CCC(=O)c2ccccc2)cn1)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide?
The InChIKey is ODTDZMNBHVITLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c34-27(24-14-8-3-9-15-24)16-17-28(35)32-25-18-31-33(20-25)21-29(36)30-19-26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,18,20,26H,16-17,19,21H2,(H,30,36)(H,32,35).
What are the key properties of N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide?
N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide has a molecular weight of 480.57 g/mol, XLogP of 4.43, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2-diphenylethylamino)-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 42482651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).