4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide

C24H30N2O2 — CID 46592100

IUPAC4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(CN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-17-5-7-18(8-6-17)16-26(21-13-14-21)22(27)15-25-23(28)19-9-11-20(12-10-19)24(2,3)4/h5-12,21H,13-16H2,1-4H3,(H,25,28)
InChIKeyGZXILLWTGSJRPT-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.21
Rot. Bonds6

About 4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 46592100) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID46592100
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(CN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-17-5-7-18(8-6-17)16-26(21-13-14-21)22(27)15-25-23(28)19-9-11-20(12-10-19)24(2,3)4/h5-12,21H,13-16H2,1-4H3,(H,25,28)
InChIKeyGZXILLWTGSJRPT-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9479104
2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide
CID 39360756
N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
CID 46592089
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
N-cyclopropyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 33036704
4-[[[2-(cyclopropanecarbonylamino)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55634418
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
(2S,3S)-2-[[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100128
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
5-bromo-N-[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55828704
tert-butyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596382
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide (CID 46592100) is 4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide is Cc1ccc(CN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C2CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is GZXILLWTGSJRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-5-7-18(8-6-17)16-26(21-13-14-21)22(27)15-25-23(28)19-9-11-20(12-10-19)24(2,3)4/h5-12,21H,13-16H2,1-4H3,(H,25,28).
What are the key properties of 4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46592100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).