N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide

C23H30N2O2 — CID 113054239

IUPACN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)Cc1cccc(C)c1
InChIInChI=1S/C23H30N2O2/c1-17-7-6-8-19(15-17)16-25(18(2)26)14-13-24-22(27)20-9-11-21(12-10-20)23(3,4)5/h6-12,15H,13-14,16H2,1-5H3,(H,24,27)
InChIKeyXSARWXCSMOTTMK-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.07
Rot. Bonds6

About N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide

N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide (PubChem CID 113054239) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide
PubChem CID113054239
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)Cc1cccc(C)c1
InChIInChI=1S/C23H30N2O2/c1-17-7-6-8-19(15-17)16-25(18(2)26)14-13-24-22(27)20-9-11-21(12-10-20)23(3,4)5/h6-12,15H,13-14,16H2,1-5H3,(H,24,27)
InChIKeyXSARWXCSMOTTMK-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide
CID 113054251
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-3-chlorobenzamide
CID 113054357
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055335
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
CID 113059185
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113054259
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113054288
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113056323
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]-3-methylbenzamide
CID 113069626
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
CID 113055892
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide (CID 113054239) is N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide is CC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)Cc1cccc(C)c1.
What is the InChIKey of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide?
The InChIKey is XSARWXCSMOTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-7-6-8-19(15-17)16-25(18(2)26)14-13-24-22(27)20-9-11-21(12-10-20)23(3,4)5/h6-12,15H,13-14,16H2,1-5H3,(H,24,27).
What are the key properties of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide?
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 113054239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).