(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide

C20H24Cl2N2O3 — CID 51556512

IUPAC(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
SMILESCOc1ccc(OCCN[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H24Cl2N2O3/c1-13(18-9-4-15(21)12-19(18)22)24-20(25)14(2)23-10-11-27-17-7-5-16(26-3)6-8-17/h4-9,12-14,23H,10-11H2,1-3H3,(H,24,25)/t13-,14+/m1/s1
InChIKeyBPLIUYUPSGGOIT-KGLIPLIRSA-N
MW411.33 g/mol
LogP4.24
Rot. Bonds9

About (2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide

(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide (PubChem CID 51556512) has the molecular formula C20H24Cl2N2O3 and a molecular weight of 411.33 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
PubChem CID51556512
Molecular FormulaC20H24Cl2N2O3
Molecular Weight411.33 g/mol
Exact Mass410.12
IUPAC Name(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
SMILESCOc1ccc(OCCN[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H24Cl2N2O3/c1-13(18-9-4-15(21)12-19(18)22)24-20(25)14(2)23-10-11-27-17-7-5-16(26-3)6-8-17/h4-9,12-14,23H,10-11H2,1-3H3,(H,24,25)/t13-,14+/m1/s1
InChIKeyBPLIUYUPSGGOIT-KGLIPLIRSA-N
XLogP4.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 51556510
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 47012174
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24643135
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965600
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
N-[1-(2,4-dichlorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55455394
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The IUPAC name of (2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide (CID 51556512) is (2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide is COc1ccc(OCCN[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The InChIKey is BPLIUYUPSGGOIT-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3/c1-13(18-9-4-15(21)12-19(18)22)24-20(25)14(2)23-10-11-27-17-7-5-16(26-3)6-8-17/h4-9,12-14,23H,10-11H2,1-3H3,(H,24,25)/t13-,14+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide?
(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide has a molecular weight of 411.33 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide is sourced from PubChem (CID 51556512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).