N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide

C25H26ClN3O4 — CID 16813230

IUPACN'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1Cl
InChIInChI=1S/C25H26ClN3O4/c1-32-23-10-9-18(15-21(23)26)28-25(31)24(30)27-16-22(29-11-13-33-14-12-29)20-8-4-6-17-5-2-3-7-19(17)20/h2-10,15,22H,11-14,16H2,1H3,(H,27,30)(H,28,31)
InChIKeyUBPFTUIEZNTTQK-UHFFFAOYSA-N
MW467.95 g/mol
LogP3.63
Rot. Bonds6

About N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide

N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide (PubChem CID 16813230) has the molecular formula C25H26ClN3O4 and a molecular weight of 467.95 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
PubChem CID16813230
Molecular FormulaC25H26ClN3O4
Molecular Weight467.95 g/mol
Exact Mass467.16
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1Cl
InChIInChI=1S/C25H26ClN3O4/c1-32-23-10-9-18(15-21(23)26)28-25(31)24(30)27-16-22(29-11-13-33-14-12-29)20-8-4-6-17-5-2-3-7-19(17)20/h2-10,15,22H,11-14,16H2,1H3,(H,27,30)(H,28,31)
InChIKeyUBPFTUIEZNTTQK-UHFFFAOYSA-N
XLogP3.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.95
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813231
3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide
CID 16813221
N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454719
N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide
CID 30835743
N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497468
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 30835557
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835618
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110622101
4-fluoro-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]benzamide
CID 30834879
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835377

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide (CID 16813230) is N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide is COc1ccc(NC(=O)C(=O)NCC(c2cccc3ccccc23)N2CCOCC2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide?
The InChIKey is UBPFTUIEZNTTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4/c1-32-23-10-9-18(15-21(23)26)28-25(31)24(30)27-16-22(29-11-13-33-14-12-29)20-8-4-6-17-5-2-3-7-19(17)20/h2-10,15,22H,11-14,16H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide?
N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide has a molecular weight of 467.95 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide is sourced from PubChem (CID 16813230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).