N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide

C24H31N3O3 — CID 46598585

IUPACN-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C24H31N3O3/c1-15(19-8-7-9-21(14-19)27-17(3)28)25-22(29)16(2)26-23(30)18-10-12-20(13-11-18)24(4,5)6/h7-16H,1-6H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyQAKWDIZALNRGGO-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.94
Rot. Bonds6

About N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide

N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide (PubChem CID 46598585) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
PubChem CID46598585
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C24H31N3O3/c1-15(19-8-7-9-21(14-19)27-17(3)28)25-22(29)16(2)26-23(30)18-10-12-20(13-11-18)24(4,5)6/h7-16H,1-6H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyQAKWDIZALNRGGO-UHFFFAOYSA-N
XLogP3.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679
N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
CID 51944566
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide?
The IUPAC name of N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide (CID 46598585) is N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide?
The canonical SMILES for N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide is CC(=O)Nc1cccc(C(C)NC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide?
The InChIKey is QAKWDIZALNRGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-15(19-8-7-9-21(14-19)27-17(3)28)25-22(29)16(2)26-23(30)18-10-12-20(13-11-18)24(4,5)6/h7-16H,1-6H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide?
N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide has a molecular weight of 409.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide is sourced from PubChem (CID 46598585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).