4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide

C25H33N3O3 — CID 33024025

IUPAC4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H33N3O3/c1-17(2)23(30)28-21-8-6-7-18(15-21)16-27-22(29)13-14-26-24(31)19-9-11-20(12-10-19)25(3,4)5/h6-12,15,17H,13-14,16H2,1-5H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyCYGXYLZAJFIJMX-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.01
Rot. Bonds8

About 4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide (PubChem CID 33024025) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
PubChem CID33024025
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H33N3O3/c1-17(2)23(30)28-21-8-6-7-18(15-21)16-27-22(29)13-14-26-24(31)19-9-11-20(12-10-19)25(3,4)5/h6-12,15,17H,13-14,16H2,1-5H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyCYGXYLZAJFIJMX-UHFFFAOYSA-N
XLogP4.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121
4-(3,4-dimethylphenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-oxobutanamide
CID 33022919
4-chloro-N-[3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55510352
N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 33021299
tert-butyl N-[3-[[3-[(4-bromobenzoyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921201
4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide
CID 163839417
N-[4-[(3-acetamidophenyl)methylamino]-4-oxobutyl]-4-fluorobenzamide
CID 47070838
tert-butyl N-[3-[[3-[(3,4-dimethylbenzoyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921378
[3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929186
N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide
CID 57199320
tert-butyl N-[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921247
4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 119716862

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide (CID 33024025) is 4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide is CC(C)C(=O)Nc1cccc(CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide?
The InChIKey is CYGXYLZAJFIJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-17(2)23(30)28-21-8-6-7-18(15-21)16-27-22(29)13-14-26-24(31)19-9-11-20(12-10-19)25(3,4)5/h6-12,15,17H,13-14,16H2,1-5H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 33024025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).