2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide

C16H25NO2 — CID 101250349

IUPAC2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide
SMILES[2H]C(C)(C(=O)N(CC)CC)C(O)C(C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-17(6-2)16(19)13(4)15(18)12(3)14-10-8-7-9-11-14/h7-13,15,18H,5-6H2,1-4H3/i13D
InChIKeyCSTIRNOOMRHAGW-YSOHJTORSA-N
MW264.39 g/mol
LogP2.66
Rot. Bonds6

About 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide

2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide (PubChem CID 101250349) has the molecular formula C16H25NO2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide.

Molecular Properties

Compound Name2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide
PubChem CID101250349
Molecular FormulaC16H25NO2
Molecular Weight264.39 g/mol
Exact Mass264.19
IUPAC Name2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide
SMILES[2H]C(C)(C(=O)N(CC)CC)C(O)C(C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-17(6-2)16(19)13(4)15(18)12(3)14-10-8-7-9-11-14/h7-13,15,18H,5-6H2,1-4H3/i13D
InChIKeyCSTIRNOOMRHAGW-YSOHJTORSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
CID 134922582
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate
CID 101353525
2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide
CID 102499696
N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 43425569
2-butylsulfanyl-N,N-diethyl-2-phenylacetamide
CID 112795257
N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide
CID 112795259
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 110287067
2-cyclopropyl-N-[2-(diethylamino)-2-oxo-1-phenylethyl]propanamide
CID 110626255

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide?
The IUPAC name of 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide (CID 101250349) is 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide.
What is the SMILES notation for 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide?
The canonical SMILES for 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide is [2H]C(C)(C(=O)N(CC)CC)C(O)C(C)c1ccccc1.
What is the InChIKey of 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide?
The InChIKey is CSTIRNOOMRHAGW-YSOHJTORSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-17(6-2)16(19)13(4)15(18)12(3)14-10-8-7-9-11-14/h7-13,15,18H,5-6H2,1-4H3/i13D.
What are the key properties of 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide?
2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide has a molecular weight of 264.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide is sourced from PubChem (CID 101250349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).