(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide

C16H23ClN2O3 — CID 99643676

IUPAC(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H23ClN2O3/c1-11(22-13-8-6-12(17)7-9-13)15(21)19(5)10-14(20)18-16(2,3)4/h6-9,11H,10H2,1-5H3,(H,18,20)/t11-/m0/s1
InChIKeyWSYUSPWQYHJEKX-NSHDSACASA-N
MW326.82 g/mol
LogP2.48
Rot. Bonds5

About (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide

(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide (PubChem CID 99643676) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
PubChem CID99643676
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H23ClN2O3/c1-11(22-13-8-6-12(17)7-9-13)15(21)19(5)10-14(20)18-16(2,3)4/h6-9,11H,10H2,1-5H3,(H,18,20)/t11-/m0/s1
InChIKeyWSYUSPWQYHJEKX-NSHDSACASA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 51327712
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide
CID 86921453
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
CID 55332635
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide
CID 93317901
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 8636937
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 86985517
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222
2-[2-(3,4-difluorophenoxy)propanoyl-methylamino]acetic acid
CID 119171905
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide?
The IUPAC name of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide (CID 99643676) is (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide.
What is the SMILES notation for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide?
The canonical SMILES for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide?
The InChIKey is WSYUSPWQYHJEKX-NSHDSACASA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11(22-13-8-6-12(17)7-9-13)15(21)19(5)10-14(20)18-16(2,3)4/h6-9,11H,10H2,1-5H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide?
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide has a molecular weight of 326.82 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 99643676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).