(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide

C20H26ClN3O2 — CID 8004337

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C20H26ClN3O2/c1-14(20(25)23-17-12-16(21)10-11-19(17)26-4)22-13-18(24(2)3)15-8-6-5-7-9-15/h5-12,14,18,22H,13H2,1-4H3,(H,23,25)/t14-,18+/m1/s1
InChIKeyRFERKGOIPKPUBL-KDOFPFPSSA-N
MW375.90 g/mol
LogP3.57
Rot. Bonds8

About (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide

(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide (PubChem CID 8004337) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide
PubChem CID8004337
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C20H26ClN3O2/c1-14(20(25)23-17-12-16(21)10-11-19(17)26-4)22-13-18(24(2)3)15-8-6-5-7-9-15/h5-12,14,18,22H,13H2,1-4H3,(H,23,25)/t14-,18+/m1/s1
InChIKeyRFERKGOIPKPUBL-KDOFPFPSSA-N
XLogP3.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide with MolForge

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Related Compounds

(2R)-N-(3,5-dichlorophenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide
CID 8852446
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
1-(5-chloro-2-methoxyphenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 55697126
N-(5-chloro-2-methoxyphenyl)-2-phenylpentanamide
CID 18169494
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] benzoate
CID 17419639
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 7590323
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
(2S)-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 27245811
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide (CID 8004337) is (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide is COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@@H](c1ccccc1)N(C)C.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide?
The InChIKey is RFERKGOIPKPUBL-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-14(20(25)23-17-12-16(21)10-11-19(17)26-4)22-13-18(24(2)3)15-8-6-5-7-9-15/h5-12,14,18,22H,13H2,1-4H3,(H,23,25)/t14-,18+/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide has a molecular weight of 375.90 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide is sourced from PubChem (CID 8004337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).