(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide

C13H17ClN2O3 — CID 94207951

IUPAC(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
SMILESCc1ccc(Cl)c(O[C@H](C)C(=O)N(C)CC(N)=O)c1
InChIInChI=1S/C13H17ClN2O3/c1-8-4-5-10(14)11(6-8)19-9(2)13(18)16(3)7-12(15)17/h4-6,9H,7H2,1-3H3,(H2,15,17)/t9-/m1/s1
InChIKeyNVZAUHVRJJQSHB-SECBINFHSA-N
MW284.74 g/mol
LogP1.36
Rot. Bonds5

About (2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide

(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide (PubChem CID 94207951) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
PubChem CID94207951
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
SMILESCc1ccc(Cl)c(O[C@H](C)C(=O)N(C)CC(N)=O)c1
InChIInChI=1S/C13H17ClN2O3/c1-8-4-5-10(14)11(6-8)19-9(2)13(18)16(3)7-12(15)17/h4-6,9H,7H2,1-3H3,(H2,15,17)/t9-/m1/s1
InChIKeyNVZAUHVRJJQSHB-SECBINFHSA-N
XLogP1.36
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 119656231
(2R)-N-(2-amino-2-oxoethyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide
CID 94207958
2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119200706
(2R)-2-(2-chloro-5-methylphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 94638078
3-[2-(2-chloro-5-methylphenoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207616
2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111470995
2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide
CID 55837892
2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60623563
(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide
CID 95040633
ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
CID 40613985
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 75385932

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide?
The IUPAC name of (2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide (CID 94207951) is (2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide.
What is the SMILES notation for (2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide?
The canonical SMILES for (2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide is Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)CC(N)=O)c1.
What is the InChIKey of (2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide?
The InChIKey is NVZAUHVRJJQSHB-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8-4-5-10(14)11(6-8)19-9(2)13(18)16(3)7-12(15)17/h4-6,9H,7H2,1-3H3,(H2,15,17)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide?
(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide has a molecular weight of 284.74 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 94207951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).