N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide

C19H32N2O2 — CID 95862889

IUPACN-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)[C@@H](CNC(=O)c1ccc(CCC(C)(C)O)cc1)N(C)C
InChIInChI=1S/C19H32N2O2/c1-14(2)17(21(5)6)13-20-18(22)16-9-7-15(8-10-16)11-12-19(3,4)23/h7-10,14,17,23H,11-13H2,1-6H3,(H,20,22)/t17-/m1/s1
InChIKeyCAGGZJMQMJLXIW-QGZVFWFLSA-N
MW320.48 g/mol
LogP2.71
Rot. Bonds8

About N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide

N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 95862889) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID95862889
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)[C@@H](CNC(=O)c1ccc(CCC(C)(C)O)cc1)N(C)C
InChIInChI=1S/C19H32N2O2/c1-14(2)17(21(5)6)13-20-18(22)16-9-7-15(8-10-16)11-12-19(3,4)23/h7-10,14,17,23H,11-13H2,1-6H3,(H,20,22)/t17-/m1/s1
InChIKeyCAGGZJMQMJLXIW-QGZVFWFLSA-N
XLogP2.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 95860893
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide
CID 95897248
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95866889
6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 66463336
4-(3-hydroxy-3-methylbutyl)-N-[1-(4-hydroxyphenyl)ethyl]benzamide
CID 70724944
4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650129
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
4-(3-hydroxy-3-methylbutyl)-N-[1-(2-hydroxyphenyl)ethyl]benzamide
CID 70723779
4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 95873116
4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 56900068
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide (CID 95862889) is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide is CC(C)[C@@H](CNC(=O)c1ccc(CCC(C)(C)O)cc1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is CAGGZJMQMJLXIW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-14(2)17(21(5)6)13-20-18(22)16-9-7-15(8-10-16)11-12-19(3,4)23/h7-10,14,17,23H,11-13H2,1-6H3,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 320.48 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 95862889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).