N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide

C15H23ClN2O2 — CID 95167827

IUPACN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide
SMILESCC[C@H](C)N(C)CCNC(=O)COc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-4-12(2)18(3)10-9-17-15(19)11-20-14-8-6-5-7-13(14)16/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyZQAJZNFTNHLBEN-LBPRGKRZSA-N
MW298.81 g/mol
LogP2.57
Rot. Bonds8

About N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide

N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 95167827) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide
PubChem CID95167827
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide
SMILESCC[C@H](C)N(C)CCNC(=O)COc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-4-12(2)18(3)10-9-17-15(19)11-20-14-8-6-5-7-13(14)16/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyZQAJZNFTNHLBEN-LBPRGKRZSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide 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-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914944
3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
CID 108789454
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
(2S)-2-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61173622
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773
2-(2-chlorophenoxy)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654382
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]acetamide
CID 45155076
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
N-(2-amino-2-ethylbutyl)-2-(2-chlorophenoxy)acetamide
CID 119641891
2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119874299

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide (CID 95167827) is N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide is CC[C@H](C)N(C)CCNC(=O)COc1ccccc1Cl.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is ZQAJZNFTNHLBEN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-12(2)18(3)10-9-17-15(19)11-20-14-8-6-5-7-13(14)16/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide?
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 298.81 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 95167827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).