(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide

C15H23ClN2O — CID 51925554

IUPAC(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide
SMILESC[C@@H](N[C@H](C)c1ccccc1Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-10(12-8-6-7-9-13(12)16)17-11(2)14(19)18-15(3,4)5/h6-11,17H,1-5H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyMJRVGIBBYFIYRV-GHMZBOCLSA-N
MW282.81 g/mol
LogP3.29
Rot. Bonds4

About (2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide

(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide (PubChem CID 51925554) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide
PubChem CID51925554
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide
SMILESC[C@@H](N[C@H](C)c1ccccc1Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-10(12-8-6-7-9-13(12)16)17-11(2)14(19)18-15(3,4)5/h6-11,17H,1-5H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyMJRVGIBBYFIYRV-GHMZBOCLSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81378852
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9306303
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81378293
N-tert-butyl-2-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 115573948
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
CID 112688495
2-[1-(2-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168773
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8599075
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide (CID 51925554) is (2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide is C[C@@H](N[C@H](C)c1ccccc1Cl)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide?
The InChIKey is MJRVGIBBYFIYRV-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(12-8-6-7-9-13(12)16)17-11(2)14(19)18-15(3,4)5/h6-11,17H,1-5H3,(H,18,19)/t10-,11-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide?
(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide has a molecular weight of 282.81 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide is sourced from PubChem (CID 51925554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).