(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide

C14H20ClNO3 — CID 125469715

IUPAC(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-14(2,9-17)12(18)13(19)16-8-7-10-3-5-11(15)6-4-10/h3-6,12,17-18H,7-9H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyCAPVOVBTKGHVMZ-LBPRGKRZSA-N
MW285.77 g/mol
LogP1.38
Rot. Bonds6

About (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide

(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 125469715) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID125469715
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-14(2,9-17)12(18)13(19)16-8-7-10-3-5-11(15)6-4-10/h3-6,12,17-18H,7-9H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyCAPVOVBTKGHVMZ-LBPRGKRZSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide 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

(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 78768343
(2R)-N-[6-[4-(butanoylamino)phenyl]-3,4-dioxohexyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 159197025
tert-butyl N-[2-[2-(4-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864604
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46830480
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 125469715) is (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide is CC(C)(CO)[C@@H](O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is CAPVOVBTKGHVMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-14(2,9-17)12(18)13(19)16-8-7-10-3-5-11(15)6-4-10/h3-6,12,17-18H,7-9H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 285.77 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 125469715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).