4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide

C20H26N2O2 — CID 67672480

IUPAC4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide
SMILESCC(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](N)[C@H](O)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-14(18(21)19(23)16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)20(24)22(2)3/h4-12,14,18-19,23H,13,21H2,1-3H3/t14?,18-,19-/m1/s1
InChIKeyLABKGCIEQUYYJF-JDBFWQQPSA-N
MW326.44 g/mol
LogP2.63
Rot. Bonds6

About 4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide

4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide (PubChem CID 67672480) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide
PubChem CID67672480
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide
SMILESCC(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](N)[C@H](O)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-14(18(21)19(23)16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)20(24)22(2)3/h4-12,14,18-19,23H,13,21H2,1-3H3/t14?,18-,19-/m1/s1
InChIKeyLABKGCIEQUYYJF-JDBFWQQPSA-N
XLogP2.63
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
CID 67671979
4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide
CID 67671664
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 119277683
N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 134039082
4-[3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]-N,N-dimethylbenzamide
CID 70429456
4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide
CID 66820082
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
methyl 2-[4-[(2S)-3-amino-4-hydroxy-2-methyl-4-phenylbutoxy]phenyl]acetate
CID 67575856
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110301959
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide (CID 67672480) is 4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide is CC(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](N)[C@H](O)c1ccccc1.
What is the InChIKey of 4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide?
The InChIKey is LABKGCIEQUYYJF-JDBFWQQPSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(18(21)19(23)16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)20(24)22(2)3/h4-12,14,18-19,23H,13,21H2,1-3H3/t14?,18-,19-/m1/s1.
What are the key properties of 4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide?
4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide has a molecular weight of 326.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-3-amino-4-hydroxy-2-methyl-4-phenylbutyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 67672480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).