4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide

C20H24N2O3 — CID 110024530

IUPAC4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)CC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(25,17-7-5-4-6-8-17)13-18(23)21-14-15-9-11-16(12-10-15)19(24)22(2)3/h4-12,25H,13-14H2,1-3H3,(H,21,23)
InChIKeyIKTMSXHCVDVPGE-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.30
Rot. Bonds6

About 4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide

4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 110024530) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID110024530
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)CC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(25,17-7-5-4-6-8-17)13-18(23)21-14-15-9-11-16(12-10-15)19(24)22(2)3/h4-12,25H,13-14H2,1-3H3,(H,21,23)
InChIKeyIKTMSXHCVDVPGE-UHFFFAOYSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110024507
N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 134039082
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025648
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 119277683
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334531
3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
CID 110025454
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025154
3-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide (CID 110024530) is 4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CNC(=O)CC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is IKTMSXHCVDVPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(25,17-7-5-4-6-8-17)13-18(23)21-14-15-9-11-16(12-10-15)19(24)22(2)3/h4-12,25H,13-14H2,1-3H3,(H,21,23).
What are the key properties of 4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide?
4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 110024530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).