N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide

C22H29N3O2 — CID 119780768

IUPACN-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-14-11-12-17(13-18(14)25-21(27)22(3,4)5)24-20(26)15(2)19(23)16-9-7-6-8-10-16/h6-13,15,19H,23H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyJLLAQIJXEFBCHV-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.25
Rot. Bonds5

About N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide

N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 119780768) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
PubChem CID119780768
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-14-11-12-17(13-18(14)25-21(27)22(3,4)5)24-20(26)15(2)19(23)16-9-7-6-8-10-16/h6-13,15,19H,23H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyJLLAQIJXEFBCHV-UHFFFAOYSA-N
XLogP4.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538465
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
CID 107701634
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119780262
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
CID 119780748
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride
CID 119945361
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119678167
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
CID 119707303

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide (CID 119780768) is N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is JLLAQIJXEFBCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14-11-12-17(13-18(14)25-21(27)22(3,4)5)24-20(26)15(2)19(23)16-9-7-6-8-10-16/h6-13,15,19H,23H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide?
N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 367.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119780768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).