4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide

C21H27N3O2 — CID 119780262

IUPAC4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(NC(=O)C(C)C(N)c2ccccc2)ccc1C(=O)NC(C)C
InChIInChI=1S/C21H27N3O2/c1-13(2)23-21(26)18-11-10-17(12-14(18)3)24-20(25)15(4)19(22)16-8-6-5-7-9-16/h5-13,15,19H,22H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyAPPDXIIAWKRNCW-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.41
Rot. Bonds6

About 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide

4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide (PubChem CID 119780262) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
PubChem CID119780262
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(NC(=O)C(C)C(N)c2ccccc2)ccc1C(=O)NC(C)C
InChIInChI=1S/C21H27N3O2/c1-13(2)23-21(26)18-11-10-17(12-14(18)3)24-20(25)15(4)19(22)16-8-6-5-7-9-16/h5-13,15,19H,22H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyAPPDXIIAWKRNCW-UHFFFAOYSA-N
XLogP3.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321678
3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
CID 107701634
4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 120592023
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylbenzoic acid
CID 103869544
ethyl 2-[[4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]benzoyl]amino]propanoate
CID 119806767
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119678167
N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 119780768
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
CID 119747993
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide (CID 119780262) is 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide is Cc1cc(NC(=O)C(C)C(N)c2ccccc2)ccc1C(=O)NC(C)C.
What is the InChIKey of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is APPDXIIAWKRNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-13(2)23-21(26)18-11-10-17(12-14(18)3)24-20(25)15(4)19(22)16-8-6-5-7-9-16/h5-13,15,19H,22H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide?
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 119780262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).