4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C21H32N2O2 — CID 9208945

IUPAC4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C21H32N2O2/c1-14(2)18(20(25)22-17-8-6-7-9-17)23-19(24)15-10-12-16(13-11-15)21(3,4)5/h10-14,17-18H,6-9H2,1-5H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyXZCOPCUQDBKGIR-SFHVURJKSA-N
MW344.50 g/mol
LogP3.80
Rot. Bonds5

About 4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide

4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 9208945) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID9208945
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C21H32N2O2/c1-14(2)18(20(25)22-17-8-6-7-9-17)23-19(24)15-10-12-16(13-11-15)21(3,4)5/h10-14,17-18H,6-9H2,1-5H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyXZCOPCUQDBKGIR-SFHVURJKSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2094670
N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide;hydrochloride
CID 119459362
N-[(2R)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 26918649
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882183
N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 9115909
4-tert-butyl-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119563820
4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55576443
4-chloro-N-[3-methyl-1-oxo-1-(piperidin-3-ylamino)butan-2-yl]benzamide
CID 119428842
4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide
CID 30481179
2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
CID 47418183
2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 41011047
4-tert-butyl-N-[(2S)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 98001662

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 9208945) is 4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1CCCC1.
What is the InChIKey of 4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is XZCOPCUQDBKGIR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-14(2)18(20(25)22-17-8-6-7-9-17)23-19(24)15-10-12-16(13-11-15)21(3,4)5/h10-14,17-18H,6-9H2,1-5H3,(H,22,25)(H,23,24)/t18-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 344.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 9208945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).