N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide

C21H33N3O3 — CID 141287633

IUPACN-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C21H33N3O3/c1-19(2,3)16(25)22-13-11-10-12-14(23-17(26)20(4,5)6)15(13)24-18(27)21(7,8)9/h10-12H,1-9H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyYENPKFXTOLNSBS-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.64
Rot. Bonds3

About N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide

N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide (PubChem CID 141287633) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
PubChem CID141287633
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C21H33N3O3/c1-19(2,3)16(25)22-13-11-10-12-14(23-17(26)20(4,5)6)15(13)24-18(27)21(7,8)9/h10-12H,1-9H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyYENPKFXTOLNSBS-UHFFFAOYSA-N
XLogP4.64
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
2-(2,2-dimethylpropanoylamino)-6-methylbenzoate
CID 102356680
2-(2,2-dimethylpropanoylamino)-6-propan-2-ylsulfanylbenzoic acid
CID 134095661
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
methyl 3-(2,2-dimethylpropanoylamino)-2-hydroxybenzoate
CID 23520841
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158193392
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide (CID 141287633) is N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1NC(=O)C(C)(C)C.
What is the InChIKey of N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
The InChIKey is YENPKFXTOLNSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-19(2,3)16(25)22-13-11-10-12-14(23-17(26)20(4,5)6)15(13)24-18(27)21(7,8)9/h10-12H,1-9H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide has a molecular weight of 375.51 g/mol, XLogP of 4.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 141287633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).