(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide

C17H26ClN3O3 — CID 26005700

IUPAC(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O3/c1-12(2)11-19-17(23)20-16(22)13(3)21(4)9-10-24-15-7-5-14(18)6-8-15/h5-8,12-13H,9-11H2,1-4H3,(H2,19,20,22,23)/t13-/m1/s1
InChIKeyPKOLXVCPACKOES-CYBMUJFWSA-N
MW355.87 g/mol
LogP2.52
Rot. Bonds8

About (2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide

(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide (PubChem CID 26005700) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is (2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
PubChem CID26005700
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O3/c1-12(2)11-19-17(23)20-16(22)13(3)21(4)9-10-24-15-7-5-14(18)6-8-15/h5-8,12-13H,9-11H2,1-4H3,(H2,19,20,22,23)/t13-/m1/s1
InChIKeyPKOLXVCPACKOES-CYBMUJFWSA-N
XLogP2.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 17399068
N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 42960410
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 18142135
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 46697394
N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide
CID 42911596
(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 37115733
(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide
CID 125167326
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide (CID 26005700) is (2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide is CC(C)CNC(=O)NC(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide?
The InChIKey is PKOLXVCPACKOES-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-12(2)11-19-17(23)20-16(22)13(3)21(4)9-10-24-15-7-5-14(18)6-8-15/h5-8,12-13H,9-11H2,1-4H3,(H2,19,20,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide?
(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide has a molecular weight of 355.87 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide is sourced from PubChem (CID 26005700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).