2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide

C24H41N5O4 — CID 22101322

IUPAC2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide
SMILESCC(C)CCN(CCC(O)(Cc1ccccc1)C(N)(CC(N)=O)C(N)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C24H41N5O4/c1-17(2)11-13-29(21(32)28-22(3,4)5)14-12-23(33,15-18-9-7-6-8-10-18)24(27,20(26)31)16-19(25)30/h6-10,17,33H,11-16,27H2,1-5H3,(H2,25,30)(H2,26,31)(H,28,32)
InChIKeyYUIFWJMRPZNJAX-UHFFFAOYSA-N
MW463.62 g/mol
LogP1.26
Rot. Bonds12

About 2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide

2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide (PubChem CID 22101322) has the molecular formula C24H41N5O4 and a molecular weight of 463.62 g/mol. Its IUPAC name is 2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide.

Molecular Properties

Compound Name2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide
PubChem CID22101322
Molecular FormulaC24H41N5O4
Molecular Weight463.62 g/mol
Exact Mass463.32
IUPAC Name2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide
SMILESCC(C)CCN(CCC(O)(Cc1ccccc1)C(N)(CC(N)=O)C(N)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C24H41N5O4/c1-17(2)11-13-29(21(32)28-22(3,4)5)14-12-23(33,15-18-9-7-6-8-10-18)24(27,20(26)31)16-19(25)30/h6-10,17,33H,11-16,27H2,1-5H3,(H2,25,30)(H2,26,31)(H,28,32)
InChIKeyYUIFWJMRPZNJAX-UHFFFAOYSA-N
XLogP1.26
TPSA164.77 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 51.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]oxycarbonylcyclopropane-1-carboxylic acid
CID 23560256
3-acetamido-N-[(2S)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methylpropanamide
CID 67743095
1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
CID 61014681
1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-3-tert-butyl-1-(2-methylpropyl)urea;3-tert-butyl-1-[(2S,3S)-2-hydroxy-3-methyl-4-phenylbutyl]-1-(2-methylpropyl)urea;methane;dihydrochloride
CID 161337763
N-tert-butyl-N-[2-[[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl]-2-(methylamino)acetamide
CID 18694321
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
(2S,3S)-N-[(2S,3R)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide
CID 22885860
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
(2R)-N-[(2S,3R)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[[2-(methylamino)acetyl]amino]-3-methylsulfanylbutanamide
CID 67637907
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
2-amino-2,3-dibenzyl-3-hydroxypentanoic acid
CID 174549992
(2R)-2-amino-2-benzyl-4-methylpentanamide
CID 66678418

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide?
The IUPAC name of 2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide (CID 22101322) is 2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide.
What is the SMILES notation for 2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide?
The canonical SMILES for 2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide is CC(C)CCN(CCC(O)(Cc1ccccc1)C(N)(CC(N)=O)C(N)=O)C(=O)NC(C)(C)C.
What is the InChIKey of 2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide?
The InChIKey is YUIFWJMRPZNJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O4/c1-17(2)11-13-29(21(32)28-22(3,4)5)14-12-23(33,15-18-9-7-6-8-10-18)24(27,20(26)31)16-19(25)30/h6-10,17,33H,11-16,27H2,1-5H3,(H2,25,30)(H2,26,31)(H,28,32).
What are the key properties of 2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide?
2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide has a molecular weight of 463.62 g/mol, XLogP of 1.26, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxy-1-phenylbutan-2-yl]butanediamide is sourced from PubChem (CID 22101322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).