2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide

C21H27N3O2 — CID 119707303

IUPAC2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
SMILESCC(C(=O)Nc1ccccc1C(=O)NC(C)(C)C)C(N)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-14(18(22)15-10-6-5-7-11-15)19(25)23-17-13-9-8-12-16(17)20(26)24-21(2,3)4/h5-14,18H,22H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNQIARSCUNQQQDB-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.49
Rot. Bonds5

About 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide

2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide (PubChem CID 119707303) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
PubChem CID119707303
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
SMILESCC(C(=O)Nc1ccccc1C(=O)NC(C)(C)C)C(N)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-14(18(22)15-10-6-5-7-11-15)19(25)23-17-13-9-8-12-16(17)20(26)24-21(2,3)4/h5-14,18H,22H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNQIARSCUNQQQDB-UHFFFAOYSA-N
XLogP3.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
CID 119280561
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
CID 119714085
N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
CID 4939976
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368
3-amino-2-methyl-3-phenyl-N-(2-phenylpropan-2-yl)propanamide;hydrochloride
CID 119709318
3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079913
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
CID 5153514
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide
CID 119770119
N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 119780768
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738242

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide?
The IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide (CID 119707303) is 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide.
What is the SMILES notation for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide?
The canonical SMILES for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide is CC(C(=O)Nc1ccccc1C(=O)NC(C)(C)C)C(N)c1ccccc1.
What is the InChIKey of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide?
The InChIKey is NQIARSCUNQQQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(18(22)15-10-6-5-7-11-15)19(25)23-17-13-9-8-12-16(17)20(26)24-21(2,3)4/h5-14,18H,22H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide?
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide is sourced from PubChem (CID 119707303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).