4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide

C20H32N2O3 — CID 111447068

IUPAC4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCC(O)CC(C)CNC(=O)C(C)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O3/c1-13(11-14(2)23)12-21-18(24)15(3)22-19(25)16-7-9-17(10-8-16)20(4,5)6/h7-10,13-15,23H,11-12H2,1-6H3,(H,21,24)(H,22,25)
InChIKeyHSUZSVFKKKRERH-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.63
Rot. Bonds7

About 4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide

4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 111447068) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID111447068
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCC(O)CC(C)CNC(=O)C(C)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O3/c1-13(11-14(2)23)12-21-18(24)15(3)22-19(25)16-7-9-17(10-8-16)20(4,5)6/h7-10,13-15,23H,11-12H2,1-6H3,(H,21,24)(H,22,25)
InChIKeyHSUZSVFKKKRERH-UHFFFAOYSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
4-tert-butyl-N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 2392296
N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456250
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519
methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate
CID 46449947
(2S)-3-(2-benzamidopropanoylamino)-2-hydroxypropanoic acid
CID 107832949
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
3-[[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 119237337
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-tert-butylbenzamide
CID 61121057
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 46470503

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide (CID 111447068) is 4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide is CC(O)CC(C)CNC(=O)C(C)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is HSUZSVFKKKRERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-13(11-14(2)23)12-21-18(24)15(3)22-19(25)16-7-9-17(10-8-16)20(4,5)6/h7-10,13-15,23H,11-12H2,1-6H3,(H,21,24)(H,22,25).
What are the key properties of 4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide?
4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 348.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 111447068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).