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

C25H27N3O4 — CID 16813231

IUPACN'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC(c1cccc2ccccc12)N1CCOCC1
InChIInChI=1S/C25H27N3O4/c1-31-23-12-5-4-11-21(23)27-25(30)24(29)26-17-22(28-13-15-32-16-14-28)20-10-6-8-18-7-2-3-9-19(18)20/h2-12,22H,13-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyNXRFVVZYJKBKPV-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.98
Rot. Bonds6

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

N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide (PubChem CID 16813231) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
PubChem CID16813231
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC(c1cccc2ccccc12)N1CCOCC1
InChIInChI=1S/C25H27N3O4/c1-31-23-12-5-4-11-21(23)27-25(30)24(29)26-17-22(28-13-15-32-16-14-28)20-10-6-8-18-7-2-3-9-19(18)20/h2-12,22H,13-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyNXRFVVZYJKBKPV-UHFFFAOYSA-N
XLogP2.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.98
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'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813230
N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide
CID 30835743
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'-(2,3-dimethylphenyl)-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454843
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
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 16813216
N'-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589257
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835618
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]pentanamide
CID 112504087

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide?
The IUPAC name of N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide (CID 16813231) is N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide.
What is the SMILES notation for N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide?
The canonical SMILES for N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide is COc1ccccc1NC(=O)C(=O)NCC(c1cccc2ccccc12)N1CCOCC1.
What is the InChIKey of N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide?
The InChIKey is NXRFVVZYJKBKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-23-12-5-4-11-21(23)27-25(30)24(29)26-17-22(28-13-15-32-16-14-28)20-10-6-8-18-7-2-3-9-19(18)20/h2-12,22H,13-17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide?
N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide has a molecular weight of 433.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide is sourced from PubChem (CID 16813231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).