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

C28H42N2O2 — CID 175323631

IUPACbenzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
SMILESCCCC(=O)N(c1ccccc1N(C(=O)CCC)C(C)(C)C)C(C)(C)C.c1ccccc1
InChIInChI=1S/C22H36N2O2.C6H6/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;1-2-4-6-5-3-1/h11-12,15-16H,9-10,13-14H2,1-8H3;1-6H
InChIKeyRXNPVVPGBUALLO-UHFFFAOYSA-N
MW438.66 g/mol
LogP7.24
Rot. Bonds6

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

benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide (PubChem CID 175323631) has the molecular formula C28H42N2O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide.

Molecular Properties

Compound Namebenzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
PubChem CID175323631
Molecular FormulaC28H42N2O2
Molecular Weight438.66 g/mol
Exact Mass438.32
IUPAC Namebenzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
SMILESCCCC(=O)N(c1ccccc1N(C(=O)CCC)C(C)(C)C)C(C)(C)C.c1ccccc1
InChIInChI=1S/C22H36N2O2.C6H6/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;1-2-4-6-5-3-1/h11-12,15-16H,9-10,13-14H2,1-8H3;1-6H
InChIKeyRXNPVVPGBUALLO-UHFFFAOYSA-N
XLogP7.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
CID 175323632
N-(2-chlorophenyl)-N-methylbutanamide
CID 12936039
(2-aminophenyl)-tert-butylcarbamic acid
CID 66632268
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
N-methyl-N-phenoxybutanamide
CID 91433690
N-butanoyl-N-propylbenzamide
CID 70941556
pentan-2-one;toluene
CID 70447052
2-hydroxy-2-phenylhexan-3-one
CID 3696245
1-phenylbutan-1-one
CID 10315
2-amino-2-phenylhexan-3-one
CID 116563859
1-tert-butyl-1-phenylurea
CID 19102233
pentan-2-one;1-phenylethanone
CID 142883835

Frequently Asked Questions

What is the IUPAC name of benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide?
The IUPAC name of benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide (CID 175323631) is benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide.
What is the SMILES notation for benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide?
The canonical SMILES for benzene;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.c1ccccc1.
What is the InChIKey of benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide?
The InChIKey is RXNPVVPGBUALLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2.C6H6/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;1-2-4-6-5-3-1/h11-12,15-16H,9-10,13-14H2,1-8H3;1-6H.
What are the key properties of benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide?
benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide has a molecular weight of 438.66 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide is sourced from PubChem (CID 175323631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).