N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide

C21H28N2O2 — CID 59347868

IUPACN-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(c2ccccc2)C(C)(CO)N(C)C)c1C
InChIInChI=1S/C21H28N2O2/c1-15-10-9-13-18(16(15)2)20(25)22-19(17-11-7-6-8-12-17)21(3,14-24)23(4)5/h6-13,19,24H,14H2,1-5H3,(H,22,25)
InChIKeyLVYVEENVNUWPPI-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.09
Rot. Bonds6

About N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide

N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide (PubChem CID 59347868) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
PubChem CID59347868
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(c2ccccc2)C(C)(CO)N(C)C)c1C
InChIInChI=1S/C21H28N2O2/c1-15-10-9-13-18(16(15)2)20(25)22-19(17-11-7-6-8-12-17)21(3,14-24)23(4)5/h6-13,19,24H,14H2,1-5H3,(H,22,25)
InChIKeyLVYVEENVNUWPPI-UHFFFAOYSA-N
XLogP3.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 11558867
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide
CID 60659253
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dimethylbenzamide
CID 113346912
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2-propylbenzamide
CID 11544630
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
3-[(2,3-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172550
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide (CID 59347868) is N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC(c2ccccc2)C(C)(CO)N(C)C)c1C.
What is the InChIKey of N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide?
The InChIKey is LVYVEENVNUWPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-10-9-13-18(16(15)2)20(25)22-19(17-11-7-6-8-12-17)21(3,14-24)23(4)5/h6-13,19,24H,14H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide?
N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide has a molecular weight of 340.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 59347868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).