N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide

C17H26N2O3 — CID 70743144

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)C(N)=O
InChIInChI=1S/C17H26N2O3/c1-11(2)14(15(18)20)19-16(21)13-7-5-6-12(10-13)8-9-17(3,4)22/h5-7,10-11,14,22H,8-9H2,1-4H3,(H2,18,20)(H,19,21)/t14-/m0/s1
InChIKeyKGNACGFSFSHCQZ-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.63
Rot. Bonds7

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 70743144) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID70743144
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)C(N)=O
InChIInChI=1S/C17H26N2O3/c1-11(2)14(15(18)20)19-16(21)13-7-5-6-12(10-13)8-9-17(3,4)22/h5-7,10-11,14,22H,8-9H2,1-4H3,(H2,18,20)(H,19,21)/t14-/m0/s1
InChIKeyKGNACGFSFSHCQZ-AWEZNQCLSA-N
XLogP1.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide (CID 70743144) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide is CC(C)[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is KGNACGFSFSHCQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)14(15(18)20)19-16(21)13-7-5-6-12(10-13)8-9-17(3,4)22/h5-7,10-11,14,22H,8-9H2,1-4H3,(H2,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 306.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 70743144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).