N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C29H31N3O3 — CID 55750325

IUPACN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(CN3CCCC3=O)c2)cc1
InChIInChI=1S/C29H31N3O3/c1-29(2,3)23-15-13-21(14-16-23)27(34)30-24-10-4-5-11-25(24)31-28(35)22-9-6-8-20(18-22)19-32-17-7-12-26(32)33/h4-6,8-11,13-16,18H,7,12,17,19H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyXKPARYKQWCFZKD-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.61
Rot. Bonds6

About N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55750325) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55750325
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(CN3CCCC3=O)c2)cc1
InChIInChI=1S/C29H31N3O3/c1-29(2,3)23-15-13-21(14-16-23)27(34)30-24-10-4-5-11-25(24)31-28(35)22-9-6-8-20(18-22)19-32-17-7-12-26(32)33/h4-6,8-11,13-16,18H,7,12,17,19H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyXKPARYKQWCFZKD-UHFFFAOYSA-N
XLogP5.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51229689
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate
CID 37007748
2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 51230616
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 39996091
N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36663059
2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
CID 9224313
N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55380712

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 55750325) is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(CN3CCCC3=O)c2)cc1.
What is the InChIKey of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is XKPARYKQWCFZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-29(2,3)23-15-13-21(14-16-23)27(34)30-24-10-4-5-11-25(24)31-28(35)22-9-6-8-20(18-22)19-32-17-7-12-26(32)33/h4-6,8-11,13-16,18H,7,12,17,19H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 469.59 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55750325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).