N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide

C22H35N3O3 — CID 154392787

IUPACN-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C22H35N3O3/c1-14(2)9-12-18(26)24-16-11-10-15(23-19(27)21(3,4)5)13-17(16)25-20(28)22(6,7)8/h10-11,13-14H,9,12H2,1-8H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyUACVCEPLYXURSB-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.03
Rot. Bonds6

About N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide

N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide (PubChem CID 154392787) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide
PubChem CID154392787
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C22H35N3O3/c1-14(2)9-12-18(26)24-16-11-10-15(23-19(27)21(3,4)5)13-17(16)25-20(28)22(6,7)8/h10-11,13-14H,9,12H2,1-8H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyUACVCEPLYXURSB-UHFFFAOYSA-N
XLogP5.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide
CID 82034526
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide
CID 86938339
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 82034298
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
CID 119780750
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide?
The IUPAC name of N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide (CID 154392787) is N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide?
The InChIKey is UACVCEPLYXURSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-14(2)9-12-18(26)24-16-11-10-15(23-19(27)21(3,4)5)13-17(16)25-20(28)22(6,7)8/h10-11,13-14H,9,12H2,1-8H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide?
N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide has a molecular weight of 389.54 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide is sourced from PubChem (CID 154392787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).