N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

C22H25ClN2O3 — CID 108511331

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25ClN2O3/c1-13-10-19(20(28-3)12-18(13)23)25-22(27)21(26)24-14(2)16-9-8-15-6-4-5-7-17(15)11-16/h8-12,14H,4-7H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyGOWCYSKJJGKAAG-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.35
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (PubChem CID 108511331) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
PubChem CID108511331
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25ClN2O3/c1-13-10-19(20(28-3)12-18(13)23)25-22(27)21(26)24-14(2)16-9-8-15-6-4-5-7-17(15)11-16/h8-12,14H,4-7H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyGOWCYSKJJGKAAG-UHFFFAOYSA-N
XLogP4.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108502169
N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511218
N-(2,3-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511155
1-(5-chloro-2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108875482
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848318
1-(2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866531
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
N-(4-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511276
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108526393
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (CID 108511331) is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The InChIKey is GOWCYSKJJGKAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-13-10-19(20(28-3)12-18(13)23)25-22(27)21(26)24-14(2)16-9-8-15-6-4-5-7-17(15)11-16/h8-12,14H,4-7H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide has a molecular weight of 400.91 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is sourced from PubChem (CID 108511331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).