N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide

C22H36N2O2 — CID 175323632

IUPACN-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
SMILESCCCC(=O)N(c1ccccc1N(C(=O)CCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H36N2O2/c1-9-13-19(25)23(21(3,4)5)17-15-11-12-16-18(17)24(22(6,7)8)20(26)14-10-2/h11-12,15-16H,9-10,13-14H2,1-8H3
InChIKeyZXTIPCAINVMTDA-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.55
Rot. Bonds6

About N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide

N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide (PubChem CID 175323632) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide.

Molecular Properties

Compound NameN-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
PubChem CID175323632
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
SMILESCCCC(=O)N(c1ccccc1N(C(=O)CCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H36N2O2/c1-9-13-19(25)23(21(3,4)5)17-15-11-12-16-18(17)24(22(6,7)8)20(26)14-10-2/h11-12,15-16H,9-10,13-14H2,1-8H3
InChIKeyZXTIPCAINVMTDA-UHFFFAOYSA-N
XLogP5.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide 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

benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
CID 175323631
N-(2-chlorophenyl)-N-methylbutanamide
CID 12936039
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
(2-aminophenyl)-tert-butylcarbamic acid
CID 66632268
N-(2-butanoylphenyl)-N-methylnitrous amide
CID 175025042
N-[2-(bromomethyl)phenyl]-N-tert-butylcarbamate
CID 155885627
N-(2-ethylphenyl)-N-hexanoylhexanamide
CID 91711142
N-methyl-N-phenoxybutanamide
CID 91433690
N-butanoyl-N-propylbenzamide
CID 70941556
2-hydroxy-2-phenylhexan-3-one
CID 3696245
pentan-2-one;toluene
CID 70447052
N-tert-butyl-N-(2,2-dimethylpropyl)butanamide
CID 118528660

Frequently Asked Questions

What is the IUPAC name of N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide?
The IUPAC name of N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide (CID 175323632) is N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide.
What is the SMILES notation for N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide?
The canonical SMILES for N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide is CCCC(=O)N(c1ccccc1N(C(=O)CCC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide?
The InChIKey is ZXTIPCAINVMTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-9-13-19(25)23(21(3,4)5)17-15-11-12-16-18(17)24(22(6,7)8)20(26)14-10-2/h11-12,15-16H,9-10,13-14H2,1-8H3.
What are the key properties of N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide?
N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide has a molecular weight of 360.54 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide is sourced from PubChem (CID 175323632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).